2-Ethylhexanal supplier | CasNO.123-05-7

Name
2-ETHYLHEXANAL
EINECS 204-596-5
CAS No. 123-05-7
Article Data151
CAS DataBase
Density 0.809 g/cm3
Solubility slightly soluble

Melting Point -60 C

Formula C8H16 O

Boiling Point 163 °C at 760 mmHg

Molecular Weight 128.214

Flash Point 50 C

Transport Information 160kgs

Appearance clear liquid

Safety Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation and skin contact. An eye and severe skin irritant. See also ALDEHYDES. Dangerous fire hazard; spontaneously flammable in air. To fight fire, use foam, CO₂, dry chemical, water spray, mist, fog. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.

Risk Codes 10-36/37/38

Molecular Structure

Hazard Symbols 3 (Packing group:III)

Synonyms Caproaldehyde,a-ethyl- (3CI); (?à)-2-Ethylhexanal;2-Ethylcaproaldehyde; 2-Ethylhexaldehyde; 2-Ethylhexanal; 2-Ethylhexylaldehyde;3-Formylheptane; Butylethylacetaldehyde; Ethylbutylacetaldehyde; NSC 42871; a-Ethylcaproaldehyde; a-Ethylhexanal

PSA 17.07000

LogP 2.40170

Synthetic route

104-76-7
2-Ethylhexyl alcohol

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

With dihydrogen peroxide In water at 65℃; for 4.5h; Catalytic behavior; Green chemistry; chemoselective reaction; 96%

With (NH4)4[CuMo6O18(OH)6]·5H2O; oxygen; sodium sulfite In water; acetonitrile at 60℃; under 760.051 Torr; for 8h; 95%

With hydrogenchloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium nitrite In dichloromethane; water at 20℃; under 760.051 Torr; for 16h; in air; 94%

645-62-5
2-ethylhexenal

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

With palladium on activated charcoal; hydrogen at 20 - 110℃; under 14997.7 Torr; Pressure; Temperature; 99.45%

With methanol; palladium Hydrogenation;

With nickel at 50℃; Hydrogenation;

20667-04-3
1,2-Dihydroxy-2-ethylhexan

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

With sulfuric acid at 20 - 100℃; Schlenk technique; Inert atmosphere; 90%

With sulfuric acid at 100℃; Schlenk technique; 90%

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions Yield

With Ni/γ-Al2O3 catalyst under 7500.75 Torr; A 80.1%
B 19.9%

With methanol; nickel boride; diborane for 0.5h; Ambient temperature; A 51.2%
B 40.9%

With Pd0078Co5790B42.02; hydrogen In ethanol at 99.84℃; under 7500.75 Torr; for 4h; Autoclave;

With hydrogen; palladium In ethanol at 99.84℃; under 7500.75 Torr; for 4h; Autoclave;

With butan-1-ol at 180℃; under 11103.3 Torr; for 4h; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere;

123-72-8
butyraldehyde

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

With sodium hydroxide anschliessenden Hydrieren an Nickel unter Druck;

With potassium hydroxide; palladium on activated charcoal Hydrogenation;

With hydrogen; silica gel; palladium at 150℃;

123-72-8
butyraldehyde

67-64-1
acetone

A

110-43-0
n-pentyl methyl ketone

B

123-05-7
d,l-2-ethylhexanal

C

5609-09-6, 69668-88-8, 1119-44-4
3-hepten-2-one

D

108-10-1
4-methyl-2-pentanone

Conditions

Conditions Yield

With sodium hydroxide; hydrogen; 1% Pd/C In water at 100 - 125℃; under 15001.5 - 16274.9 Torr; for 0.133333 - 1h; Product distribution / selectivity; Heating / reflux; A 11.16%
B 0%
C 0%
D 0.51%

With sodium hydroxide; hydrogen; palladium on carbon at 100℃; under 15001.5 Torr; for 1h; Product distribution / selectivity;

With hydrogen; 0.5% Pd/C; caustic solution at 90℃; under 18751.9 Torr; Pro-PAK; Product distribution / selectivity;

Stage #1: butyraldehyde; acetone With hydrogen; 0.5% Pd/C; caustic solution at 125℃; under 12751.3 Torr; Pro-PAK;
Stage #2: 0.1 % Pd/C; caustic solution at 125℃; under 12751.3 Torr; Product distribution / selectivity;

...Expand

1116651-53-6
(E)-1-(hex-1-enyl)-2,2,6-trimethylpiperidine

75-03-6
ethyl iodide

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

Stage #1: (E)-1-(hex-1-enyl)-2,2,6-trimethylpiperidine; ethyl iodide In acetonitrile at 65℃; for 16h; Inert atmosphere;
Stage #2: With water; sodium acetate; acetic acid In acetonitrile at 20℃; for 0.166667h; Inert atmosphere; 71%

108-94-1
cyclohexanone

123-72-8
butyraldehyde

A

123-05-7
d,l-2-ethylhexanal

B

1126-18-7
2-butylcyclohexanone

Conditions

Conditions Yield

With 0.2% palladium on titania; hydrogen at 140℃; under 26252.6 Torr; for 6.66667h; Autoclave; A 14 %Chromat.
B 55 %Chromat.

...Expand

75-03-6
ethyl iodide

724775-68-2
tert-butyl(hex-1-en-1-yl)isopropylamine

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

In [D3]acetonitrile at 50℃; for 18h; 100%

In [D3]acetonitrile at 50℃; for 18h; 100%

108-94-1
cyclohexanone

123-72-8
butyraldehyde

A

123-05-7
d,l-2-ethylhexanal

B

1126-18-7
2-butylcyclohexanone

C

7153-14-2
2-Buthylidenecyclohexanone

Conditions

Conditions Yield

With hydrogen at 140℃; under 26252.6 Torr; for 6.66667h; Autoclave; A 6 %Chromat.
B 52 %Chromat.
C 12 %Chromat.

...Expand

108-94-1
cyclohexanone

123-72-8
butyraldehyde

A

123-05-7
d,l-2-ethylhexanal

B

1126-18-7
2-butylcyclohexanone

C

71-36-3
butan-1-ol

Conditions

Conditions Yield

With Pd (0.2% by weight) on aluminum oxide; hydrogen at 140℃; under 26252.6 Torr; for 6.66667h; Reagent/catalyst; Autoclave; A 16 %Chromat.
B 55 %Chromat.
C 18 %Chromat.

...Expand

149-57-5
2-Ethylhexanoic acid

123-05-7
d,l-2-ethylhexanal

Conditions

Conditions Yield

With hydrogen; 2,2-dimethylpropanoic anhydride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 80℃; under 22501.8 Torr; for 24h; 23 % Spectr.

Stage #1: 2-Ethylhexanoic acid With 2,6-dimethylpyridine; (1,2-dimethoxyethane)dichloronickel(II); 4,4'-di-tert-butyl-2,2'-bipyridine; zinc; dimethyl dicarbonate In ethyl acetate for 0.25h; Inert atmosphere; Green chemistry;
Stage #2: With diphenylsilane In ethyl acetate at 60℃; for 16h; Reagent/catalyst; Inert atmosphere; Green chemistry;

108-94-1
cyclohexanone

123-72-8
butyraldehyde

A

123-05-7
d,l-2-ethylhexanal

B

1126-18-7
2-butylcyclohexanone

C

7153-14-2
2-Buthylidenecyclohexanone

D

71-36-3
butan-1-ol

Conditions

Conditions Yield

With hydrogen at 140℃; under 26252.6 Torr; for 6.66667h; Autoclave; A 8 %Chromat.
B 14 %Chromat.
C 14 %Chromat.
D 7 %Chromat.

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

50639-00-4
2‐ethylhex‐2‐en‐1‐ol

Conditions

Conditions Yield

With butan-1-ol at 150℃; under 11103.3 Torr; for 4h; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere;

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

10143-60-9
bis(2-ethylhexyl)ether

Conditions

Conditions Yield

With 5% palladium on Al2O3; hydrogen at 150℃; under 30003 Torr; for 6h; Autoclave;

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

C

50639-00-4
2‐ethylhex‐2‐en‐1‐ol

Conditions

Conditions Yield

With butan-1-ol at 180℃; under 11103.3 Torr; for 4h; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

149-57-5
2-Ethylhexanoic acid

C

5309-52-4
2-ethyl-2-hexenoic acid

Conditions

Conditions Yield

With butan-1-ol at 150℃; under 11103.3 Torr; for 4h; Reagent/catalyst; Temperature; Time; Autoclave; Inert atmosphere;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

C

10143-60-9
bis(2-ethylhexyl)ether

Conditions

Conditions Yield

With palladium 10% on activated carbon; hydrogen at 150℃; under 30003 Torr; for 6h;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

C

149-57-5
2-Ethylhexanoic acid

D

5309-52-4
2-ethyl-2-hexenoic acid

Conditions

Conditions Yield

With butan-1-ol at 150℃; under 11103.3 Torr; for 4h; Temperature; Reagent/catalyst; Autoclave; Inert atmosphere;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

149-57-5
2-Ethylhexanoic acid

C

50639-00-4
2‐ethylhex‐2‐en‐1‐ol

D

5309-52-4
2-ethyl-2-hexenoic acid

Conditions

Conditions Yield

With butan-1-ol at 150℃; under 11103.3 Torr; for 1h; Autoclave; Inert atmosphere;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

C

10143-60-9
bis(2-ethylhexyl)ether

D

35082-20-3
2-ethyl-1,1-bis(2-ethylhexyloxy)hexane

Conditions

Conditions Yield

With hydrogen at 135℃; under 30003 Torr; for 6h;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

C

10143-60-9
bis(2-ethylhexyl)ether

D

2-ethyl-2-hexenyl 2-ethylhexyl ether

Conditions

Conditions Yield

With hydrogen at 150℃; under 30003 Torr; for 12h;

...Expand

760-67-8
2-ethylhexanoic acid chloride

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions Yield

With tri-n-butyl-tin hydride; triphenylphosphine; indium(III) chloride In tetrahydrofuran at 20℃; for 2h; Reduction; A 42%
B 11%

110-62-3
pentanal

629-11-8
1,6-hexanediol

A

123-05-7
d,l-2-ethylhexanal

B

52387-47-0
2,9-diethyl-decanedial

C

C10H20O2

D

C10H18O2

Conditions

Conditions Yield

With potassium phosphate; dodecane; 5%-palladium/activated carbon In toluene at 145℃; for 20h; Sealed tube;

...Expand

141-79-7
4-methyl-pent-3-en-2-one

5609-09-6, 69668-88-8, 1119-44-4
3-hepten-2-one

645-62-5
2-ethylhexenal

A

110-43-0
n-pentyl methyl ketone

B

123-05-7
d,l-2-ethylhexanal

C

108-10-1
4-methyl-2-pentanone

Conditions

Conditions Yield

With 5%-palladium/activated carbon; hydrogen at 100℃; under 4500.45 Torr; Inert atmosphere;

...Expand

645-62-5
2-ethylhexenal

A

123-05-7
d,l-2-ethylhexanal

B

104-76-7
2-Ethylhexyl alcohol

C

10143-60-9
bis(2-ethylhexyl)ether

D

35082-20-3
2-ethyl-1,1-bis(2-ethylhexyloxy)hexane

E

2-ethyl-2-hexenyl 2-ethylhexyl ether

Conditions

Conditions Yield

With hydrogen at 150℃; under 30003 Torr; for 6h; Pressure;

...Expand

187737-37-7
propene

201230-82-2
carbon monoxide

A

123-05-7
d,l-2-ethylhexanal

B

123-72-8
butyraldehyde

C

78-84-2
isobutyraldehyde

Conditions

Conditions Yield

With hydrogen; hydridocarbonyltris(triphenylphosphino)rhodium(I) impregnated on hydrotalcite with Mg/Al molar ratio 2.0 In toluene at 50 - 150℃; for 13h; Product distribution / selectivity;

With hydrogen; catalyst system of magnesium to aluminum molar ratio 1.5 In toluene at 50 - 175℃; for 13h; Product distribution / selectivity;

With hydrogen; catalyst system of magnesium to aluminum molar ratio 3.5 In toluene at 50 - 150℃; for 13h; Product distribution / selectivity;

With hydrogen; hydridocarbonyltris(triphenylphosphino)rhodium(I) impregnated on hydrotalcite with Mg/Al molar ratio 3.5 In toluene at 50 - 150℃; for 13h; Product distribution / selectivity;

...Expand

187737-37-7
propene

201230-82-2
carbon monoxide

A

123-05-7
d,l-2-ethylhexanal

B

78-83-1
2-methyl-propan-1-ol

C

71-36-3
butan-1-ol

Conditions

Conditions Yield

With hydrogen; metal complex hydridocarbonyltris(triphenylphosphine)rhodium(I) with magnesium-aluminum mixed oxides (Mg/Al=2.0), impregnated In toluene at 50 - 150℃; for 13h; Product distribution / selectivity; Autoclave;

With hydrogen; hydridocarbonyltris(triphenylphosphino)rhodium(I) impregnated on hydrotalcite with Mg/Al molar ratio 2.0 In toluene at 300℃; for 13h; Product distribution / selectivity;

...Expand

123-72-8
butyraldehyde

A

123-05-7
d,l-2-ethylhexanal

B

71-36-3
butan-1-ol

Conditions

Conditions Yield

With 0.5% Pd/Ti02 at 290℃;

123-72-8
butyraldehyde

A

123-05-7
d,l-2-ethylhexanal

B

645-62-5
2-ethylhexenal

Conditions

Conditions Yield

With 0.1% Pd/Ti02; hydrogen at 290℃;

123-75-1
pyrrolidine

2033-24-1
cycl-isopropylidene malonate

123-05-7
d,l-2-ethylhexanal

93498-12-5
5-(2-Ethyl-1-pyrrolidin-1-yl-hexyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

Conditions

Conditions Yield

In diethyl ether for 0.166667h; 100%

...Expand

123-05-7
d,l-2-ethylhexanal

505083-08-9
trans-(1R,2R)-6-nitro-1-aminoindan-2-ol

(1R,2R)-1-((R)-2-ethylhexylidenamino)-6-nitroindan-2-ol

Conditions

Conditions Yield

Stage #1: d,l-2-ethylhexanal; trans-(1R,2R)-6-nitro-1-aminoindan-2-ol In methanol at 23℃; for 3h;
Stage #2: In methanol for 12h; Further stages.; 100%

123-05-7
d,l-2-ethylhexanal

870-46-2
t-butoxycarbonylhydrazine

C13H26N2O2

Conditions

Conditions Yield

In hexane for 2h; Reflux; 100%

In hexane for 2h; Reflux; 100%

In hexane for 2h; Reflux; 100%

In hexane for 2h; Reflux; 100%

123-05-7
d,l-2-ethylhexanal

32064-67-8
tert-butylhydrazine

C13H26N2O2

Conditions

Conditions Yield

In hexane for 2h; Reflux; 100%

111-87-5
octanol

123-05-7
d,l-2-ethylhexanal

1-(2-ethylhexyloxy)octane

Conditions

Conditions Yield

With 2.5% wt Pd/C; hydrogen at 160℃; for 3h; Catalytic behavior; Dean-Stark; chemoselective reaction; 100%

123-05-7
d,l-2-ethylhexanal

149-57-5
2-Ethylhexanoic acid

Conditions

Conditions Yield

With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube; 99%

With C43H56IO4P; potassium acetate; caesium carbonate at 35℃; for 6h; Reagent/catalyst; Cooling; 99.1%

With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 40℃; under 760.051 Torr; for 3h; 94%

123-05-7
d,l-2-ethylhexanal

1044217-94-8
α,α-diphenyl-3,5-dimethoxysalicyl alcohol

1132766-40-5
C29H34O4

Conditions

Conditions Yield

at 140℃; for 8.5h; Inert atmosphere; 99%

123-05-7
d,l-2-ethylhexanal

1132766-37-0
C42H36O6

1132766-40-5
C29H34O4

Conditions

Conditions Yield

In para-xylene at 140℃; for 8.5h; Inert atmosphere; 99%

123-05-7
d,l-2-ethylhexanal

77-78-1
dimethyl sulfate

1066-54-2
trimethylsilylacetylene

1200697-26-2
(4-ethyl-3-methoxyoct-1-ynyl)trimethylsilane

Conditions

Conditions Yield

Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere;
Stage #2: d,l-2-ethylhexanal In tetrahydrofuran at 0 - 20℃; Inert atmosphere;
Stage #3: dimethyl sulfate In tetrahydrofuran at 0 - 20℃; Inert atmosphere; 99%

...Expand

123-05-7
d,l-2-ethylhexanal

107-21-1
ethylene glycol

4359-47-1
2-(heptan-3-yl)-1,3-dioxolane

Conditions

Conditions Yield

With ammonium chloride for 2h; Dean-Stark; Reflux; Green chemistry; 98%

With cation exchanger Unter Entfernen des entstehenden Wassers.;

With Eosin Y In acetonitrile at 20℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation; chemoselective reaction; 95 %Chromat.

123-05-7
d,l-2-ethylhexanal

74-86-2
acetylene

5877-42-9
3-ethyl-1-octyn-3-ol

Conditions

Conditions Yield

Stage #1: d,l-2-ethylhexanal; acetylene With ammonia; potassium methanolate In methanol; water at 34 - 38℃; under 15001.5 Torr; for 0.508333h;
Stage #2: With carbon dioxide; water at 75℃; Product distribution / selectivity; 97%

for 48 - 120h; Product distribution / selectivity; 89.5%

With methanol; potassium hydroxide; Dimethoxymethane

123-05-7
d,l-2-ethylhexanal

1514-82-5
2-bromo-3,3,3-trifluoropropene

5-Ethyl-1,1,1-trifluoronon-2-yn-4-ol

Conditions

Conditions Yield

With lithium diisopropyl amide In tetrahydrofuran; cyclohexane 1.) -78 deg C, 10 min, 2.) -78 deg C, 1 h; 96%

123-05-7
d,l-2-ethylhexanal

7449-74-3
N-methyl-N-trimethylsilylacetamide

71504-20-6
(E)/(Z)-2-Ethyl-1-trimethylsiloxy-1-hexene

Conditions

Conditions Yield

With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 15 - 20℃; 96%

123-05-7
d,l-2-ethylhexanal

76-05-1
trifluoroacetic acid

144222-22-0
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate

C-[1-(2-ethyl-hexyl)-piperidin-4-yl]-methylamine; compound with trifluoro-acetic acid

Conditions

Conditions Yield

Multistep reaction; 96%

...Expand

123-05-7
d,l-2-ethylhexanal

106-95-6
allyl bromide

77383-05-2
5-Ethyl-non-1-en-4-ol

Conditions

Conditions Yield

With lead(II) bromide; aluminium In N,N-dimethyl-formamide for 2h; Ambient temperature; 95%

123-05-7
d,l-2-ethylhexanal

112-30-1
1-Decanol

(Z)-1-((2-ethylhex-1-en-1-yl)oxy)decane

Conditions

Conditions Yield

With toluene-4-sulfonic acid at 200℃; for 4h; Dean-Stark; Reflux; 95%

123-05-7
d,l-2-ethylhexanal

17648-03-2
9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione

2-(2-ethylhexyl)-1,4-dihydroxyanthracene-9,10-dione

Conditions

Conditions Yield

With piperidine; acetic acid In isopropyl alcohol at 75 - 80℃; Large scale; 94.6%

123-05-7
d,l-2-ethylhexanal

7425-14-1
2-ethylhexyl 2-ethylhexanoate

Conditions

Conditions Yield

With bis(1,5-cyclooctadiene)nickel(0); 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene In toluene at 23 - 60℃; Tishchenko reaction; Inert atmosphere; 94%

With trimethylaluminum; benzene-1,2-diol; isopropyl alcohol In dichloromethane at 20℃; for 2h; 86%

With magnesium aluminium-alcoholate

With aluminum isopropoxide

109-65-9
1-bromo-butane

123-05-7
d,l-2-ethylhexanal

128302-78-3
α-(tert-butyldimethylsilyloxy)malonitrile

N-n-butyl-2-[(tert-butyldimethylsilyl)oxy]-3-ethylheptanamide

Conditions

Conditions Yield

In diethyl ether at -25℃; for 2h; 94%

...Expand

123-05-7
d,l-2-ethylhexanal

404392-70-7
tert-butyldimethylsilyl N-phenylbenzimidate

tert-butyl-(2-ethyl-hex-1-enyloxy)-dimethyl-silane

Conditions

Conditions Yield

With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 60℃; 94%

123-05-7
d,l-2-ethylhexanal

52-89-1
l-cysteine hydrochloride

(2RS,4R)-2-(1-ethyl-pentyl)-thiazolidine-4-carboxylic acid

Conditions

Conditions Yield

With sodium hydroxide In ethanol; water 92%

With ethanol; potassium acetate

123-05-7
d,l-2-ethylhexanal

C32H46O7PPol

169397-39-1
ethyl (Z)-4-ethyl-2-octenoate

Conditions

Conditions Yield

Stage #1: C32H46O7PPol With 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium iodide In tetrahydrofuran at 0℃; Horner-Wadsworth-Emmons olefination; Inert atmosphere; solid phase reaction;
Stage #2: d,l-2-ethylhexanal In tetrahydrofuran at -78 - 20℃; Horner-Wadsworth-Emmons olefination; Inert atmosphere; solid phase reaction; optical yield given as %de; stereoselective reaction; 92%

112-35-6
triethylene glucol monomethyl ether

123-05-7
d,l-2-ethylhexanal

12-(heptan-3-yl)-2,5,8,11,13,16,19,22-octaoxatricosane

Conditions

Conditions Yield

Stage #1: triethylene glucol monomethyl ether; d,l-2-ethylhexanal for 1.5h; Large scale;
Stage #2: With toluene-4-sulfonic acid for 28.5h; Large scale; 92%

123-05-7
d,l-2-ethylhexanal

663155-32-6
ethyl 2-diphenylphosphono-3-(trimethylsilyl)propionate

680195-74-8
ethyl (E)-4-ethyl-2-(trimethylsilylmethyl)oct-2-enoate

Conditions

Conditions Yield

Stage #1: ethyl 2-diphenylphosphono-3-(trimethylsilyl)propionate With sodium hydride In tetrahydrofuran at 0℃; for 0.5h;
Stage #2: d,l-2-ethylhexanal In tetrahydrofuran at -60 - 20℃; for 14.5h; Ando-Horner-Wadsworth-Emmons reaction; 91%

With sodium hydride In tetrahydrofuran at 20℃; Horner-Wadsworth-Emmons olefination; stereoselective reaction;

2-Ethylhexanal Chemical Properties

Molecular Formula: C₈H₁₆O
Molar mass: 128.21 g/mol
EINECS: 204-596-5
Density: 0.809 g/cm³
Flash Point: 42.2 °C
Index of Refraction: 1.41
Boiling Point: 163 °C at 760 mmHg
Vapour Pressure: 2.11 mmHg at 25°C
Melting point: -76 °C
Storage temp: Flammables area
Sensitive: Air Sensitive
Appearance: White liquid with a mild odor
Structure of 2-Ethylhexanal (123-05-7):

XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: 2-Ethylhexanal
SMILES: O=CC(CC)CCCC
InChI: InChI=1/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
InChIKey: LGYNIFWIKSEESD-UHFFFAOYAX
Std. InChI: InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
Std. InChIKey: LGYNIFWIKSEESD-UHFFFAOYSA-N

2-Ethylhexanal Toxicity Data With Reference

1.
skn-rbt 20 mg/24H MOD
    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,274.

2.
skn-rbt 425 mg open MLD
    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 7/21 ,1965.

3.
eye-rbt 500 mg open
    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

4.
orl-rat LD50:3730 mg/kg
    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

5.
ihl-rat LCLo:4000 ppm/4H
    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

6.
ipr-rat LD50:500 mg/kg
    HYDRDA    Hydrometallurgy. 3 (1978),201.

7.
orl-mus LD50:3550 mg/kg
    85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,103.

8.
skn-rbt LD50:5040 mg/kg
    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

Carcinogenicity of 2-Ethylhexanal (123-05-7) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.

2-Ethylhexanal Consensus Reports

Reported in EPA TSCA Inventory.

2-Ethylhexanal Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation and skin contact. An eye and severe skin irritant. See also ALDEHYDES. Dangerous fire hazard; spontaneously flammable in air. To fight fire, use foam, CO₂, dry chemical, water spray, mist, fog. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.

Hazard Codes: Xi
Risk Statements:
10: Flammable
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing

2-Ethylhexanal Specification

2-Ethylhexanal (123-05-7) also can be called Hexanal, 2-ethyl- ; Ethylbutylacetaldehyde ; Butylethylacetaldehyde and .alpha.-Ethylcaproaldehyde .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, 2-Ethylhexanal (123-05-7) is not compatible with strong oxidizing agents, strong acids, strong bases, and you must not take it with light, excess heat and incompatible materials and not be puted in the temperature above 50°C (122°F).And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.

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Conditions	Yield
With dihydrogen peroxide In water at 65℃; for 4.5h; Catalytic behavior; Green chemistry; chemoselective reaction;	96%
With (NH4)4[CuMo6O18(OH)6]·5H2O; oxygen; sodium sulfite In water; acetonitrile at 60℃; under 760.051 Torr; for 8h;	95%
With hydrogenchloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium nitrite In dichloromethane; water at 20℃; under 760.051 Torr; for 16h; in air;	94%

Conditions	Yield
With palladium on activated charcoal; hydrogen at 20 - 110℃; under 14997.7 Torr; Pressure; Temperature;	99.45%
With methanol; palladium Hydrogenation;
With nickel at 50℃; Hydrogenation;

Conditions	Yield
With sulfuric acid at 20 - 100℃; Schlenk technique; Inert atmosphere;	90%
With sulfuric acid at 100℃; Schlenk technique;	90%

Conditions	Yield
With Ni/γ-Al2O3 catalyst under 7500.75 Torr;	A 80.1% B 19.9%
With methanol; nickel boride; diborane for 0.5h; Ambient temperature;	A 51.2% B 40.9%
With Pd0078Co5790B42.02; hydrogen In ethanol at 99.84℃; under 7500.75 Torr; for 4h; Autoclave;
With hydrogen; palladium In ethanol at 99.84℃; under 7500.75 Torr; for 4h; Autoclave;
With butan-1-ol at 180℃; under 11103.3 Torr; for 4h; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere;

Conditions	Yield
With sodium hydroxide anschliessenden Hydrieren an Nickel unter Druck;
With potassium hydroxide; palladium on activated charcoal Hydrogenation;
With hydrogen; silica gel; palladium at 150℃;

Conditions	Yield
With sodium hydroxide; hydrogen; 1% Pd/C In water at 100 - 125℃; under 15001.5 - 16274.9 Torr; for 0.133333 - 1h; Product distribution / selectivity; Heating / reflux;	A 11.16% B 0% C 0% D 0.51%
With sodium hydroxide; hydrogen; palladium on carbon at 100℃; under 15001.5 Torr; for 1h; Product distribution / selectivity;
With hydrogen; 0.5% Pd/C; caustic solution at 90℃; under 18751.9 Torr; Pro-PAK; Product distribution / selectivity;
Stage #1: butyraldehyde; acetone With hydrogen; 0.5% Pd/C; caustic solution at 125℃; under 12751.3 Torr; Pro-PAK; Stage #2: 0.1 % Pd/C; caustic solution at 125℃; under 12751.3 Torr; Product distribution / selectivity;

Conditions	Yield
In [D3]acetonitrile at 50℃; for 18h;	100%
In [D3]acetonitrile at 50℃; for 18h;	100%

Conditions	Yield
With hydrogen; 2,2-dimethylpropanoic anhydride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 80℃; under 22501.8 Torr; for 24h;	23 % Spectr.
Stage #1: 2-Ethylhexanoic acid With 2,6-dimethylpyridine; (1,2-dimethoxyethane)dichloronickel(II); 4,4'-di-tert-butyl-2,2'-bipyridine; zinc; dimethyl dicarbonate In ethyl acetate for 0.25h; Inert atmosphere; Green chemistry; Stage #2: With diphenylsilane In ethyl acetate at 60℃; for 16h; Reagent/catalyst; Inert atmosphere; Green chemistry;

Conditions	Yield
With hydrogen; hydridocarbonyltris(triphenylphosphino)rhodium(I) impregnated on hydrotalcite with Mg/Al molar ratio 2.0 In toluene at 50 - 150℃; for 13h; Product distribution / selectivity;
With hydrogen; catalyst system of magnesium to aluminum molar ratio 1.5 In toluene at 50 - 175℃; for 13h; Product distribution / selectivity;
With hydrogen; catalyst system of magnesium to aluminum molar ratio 3.5 In toluene at 50 - 150℃; for 13h; Product distribution / selectivity;
With hydrogen; hydridocarbonyltris(triphenylphosphino)rhodium(I) impregnated on hydrotalcite with Mg/Al molar ratio 3.5 In toluene at 50 - 150℃; for 13h; Product distribution / selectivity;

Conditions	Yield
With hydrogen; metal complex hydridocarbonyltris(triphenylphosphine)rhodium(I) with magnesium-aluminum mixed oxides (Mg/Al=2.0), impregnated In toluene at 50 - 150℃; for 13h; Product distribution / selectivity; Autoclave;
With hydrogen; hydridocarbonyltris(triphenylphosphino)rhodium(I) impregnated on hydrotalcite with Mg/Al molar ratio 2.0 In toluene at 300℃; for 13h; Product distribution / selectivity;

Conditions	Yield
In hexane for 2h; Reflux;	100%
In hexane for 2h; Reflux;	100%
In hexane for 2h; Reflux;	100%
In hexane for 2h; Reflux;	100%

Conditions	Yield
With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube;	99%
With C43H56IO4P; potassium acetate; caesium carbonate at 35℃; for 6h; Reagent/catalyst; Cooling;	99.1%
With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 40℃; under 760.051 Torr; for 3h;	94%

Conditions	Yield
With ammonium chloride for 2h; Dean-Stark; Reflux; Green chemistry;	98%
With cation exchanger Unter Entfernen des entstehenden Wassers.;
With Eosin Y In acetonitrile at 20℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation; chemoselective reaction;	95 %Chromat.

Conditions	Yield
Stage #1: d,l-2-ethylhexanal; acetylene With ammonia; potassium methanolate In methanol; water at 34 - 38℃; under 15001.5 Torr; for 0.508333h; Stage #2: With carbon dioxide; water at 75℃; Product distribution / selectivity;	97%
for 48 - 120h; Product distribution / selectivity;	89.5%
With methanol; potassium hydroxide; Dimethoxymethane

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene In toluene at 23 - 60℃; Tishchenko reaction; Inert atmosphere;	94%
With trimethylaluminum; benzene-1,2-diol; isopropyl alcohol In dichloromethane at 20℃; for 2h;	86%
With magnesium aluminium-alcoholate
With aluminum isopropoxide

Conditions	Yield
With sodium hydroxide In ethanol; water	92%
With ethanol; potassium acetate

Conditions	Yield
Stage #1: ethyl 2-diphenylphosphono-3-(trimethylsilyl)propionate With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: d,l-2-ethylhexanal In tetrahydrofuran at -60 - 20℃; for 14.5h; Ando-Horner-Wadsworth-Emmons reaction;	91%
With sodium hydride In tetrahydrofuran at 20℃; Horner-Wadsworth-Emmons olefination; stereoselective reaction;

1.	skn-rbt 20 mg/24H MOD	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,274.
2.	skn-rbt 425 mg open MLD	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 7/21 ,1965.
3.	eye-rbt 500 mg open	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.	orl-rat LD50:3730 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
5.	ihl-rat LCLo:4000 ppm/4H	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
6.	ipr-rat LD50:500 mg/kg	HYDRDA Hydrometallurgy. 3 (1978),201.
7.	orl-mus LD50:3550 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,103.
8.	skn-rbt LD50:5040 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

Product Name

2-ETHYLHEXANAL

Synthetic route

2-Ethylhexanal Chemical Properties

2-Ethylhexanal Toxicity Data With Reference

2-Ethylhexanal Consensus Reports

2-Ethylhexanal Safety Profile

2-Ethylhexanal Specification

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