Hexanal supplier | CasNO.66-25-1

Name
Hexanal
EINECS 200-624-5
CAS No. 66-25-1
Article Data514
CAS DataBase
Density 0.801 g/cm³
Solubility 4.8 g/L (20 °C) in water
Melting Point -56 °C
Formula C₆H₁₂O
Boiling Point 127.9 °C at 760 mmHg
Molecular Weight 100.161
Flash Point 26.2 °C
Transport Information UN 1207 3/PG 3
Appearance liquid
Safety 37/39-26-16
Risk Codes 10
Molecular Structure
Hazard Symbols Xi
Synonyms Caproaldehyde;Caproic aldehyde;Capronaldehyde;Hexaldehyde;Hexanaldehyde;Hexylaldehyde;NSC 2596;n-Caproaldehyde;n-Capronaldehyde;n-Hexanal;n-Hexylaldehyde;
PSA 17.07000
LogP 1.76560

Synthetic route

: 111-27-3
hexan-1-ol

: 66-25-1
hexanal

Conditions

Conditions	Yield
With 4 A molecular sieve; tetrabutylammonium periodite; sodium ruthenate(VI) In dichloromethane at 20℃; for 24h; Oxidation;	100%
With 4 A molecular sieve; tetrabutylammonium perchlorate; Ru-Cu-Al-hydrotalcite In toluene at 60℃; for 24h;	100%
With iodosylbenzene; Cl-CH2-PS supported 5-amino-1,10-phenanthroline-Ru In acetonitrile at 60℃; for 2h;	100%

: 3658-93-3
1,1-diethoxyhexane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave;	100%
With dibromotriphenylphosphorane In dichloromethane at -50℃; for 1h;	74%
With 6C72H112O8*8H2O In chloroform-d1; water for 1h; Inert atmosphere;

: 64847-81-0
1,1-hexanediol diacetate

: 66-25-1
hexanal

Conditions

Conditions	Yield
With beta zeolite modified with chlorosulphonic acid (28 wtpercent) In ethanol at 50℃; for 0.0833333h;	100%
With ethanol at 50℃; for 0.166667h; chemoselective reaction;	98%
With (NH4)3PW12O40 In methanol at 20℃; for 2h;	92%

: 1599-47-9
1,1-dimethoxyhexane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave;	100%

: 142-62-1
hexanoic acid

: 66-25-1
hexanal

Conditions

Conditions	Yield
With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Ambient temperature;	99%
With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Product distribution; Ambient temperature; other aliphatic and aromatic acids, other products, other times;	99%
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;	94%

: 16577-51-8
hexanoic acid Li-salt

: 66-25-1
hexanal

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;	99%

: 6728-26-3
(E)-2-Hexenal

: 66-25-1
hexanal

Conditions

Conditions	Yield
With hydrogen; sodium dodecyl-sulfate; palladium diacetate In tetrahydrofuran; water at 20℃; under 760.051 Torr; for 0.5h; Reagent/catalyst; chemoselective reaction;	98%
With N,N,N,N,N,N-hexamethylphosphoric triamide; diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 1h;	89%
With hydrogen In isopropyl alcohol at 110℃; under 22502.3 Torr; for 3h; Autoclave;	35.2%

: 64214-56-8
N-methoxy-N-methyl hexanamide

: 66-25-1
hexanal

Conditions

Conditions	Yield
With lithium diisobutyl-tert-butoxyaluminum hydride In tetrahydrofuran; hexane at 0℃; Reagent/catalyst; Inert atmosphere; chemoselective reaction;	97%
With benzoic acid ethyl ester; copper diisobutyl-t-butoxyaluminum hydride In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; chemoselective reaction;	99 %Chromat.

: 111-27-3
hexan-1-ol

A: 6378-65-0
n-hexyl caproate

B: 66-25-1
hexanal

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In dichloromethane; water at 0℃; Electrolysis; Saturated solution;	A n/a B 95%
With calcium dichloride dihydrate; oxone; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; water In dichloromethane at 20℃; for 2.5h; Catalytic behavior; Reagent/catalyst; Time; Solvent; Overall yield = 59 %Chromat.;	A 91% B 9%
With oxone; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrabutylammomium bromide; water In dichloromethane at 20℃; for 4h; Catalytic behavior; Overall yield = 7 %Chromat.;	A 9% B 52%

: 26533-34-6
isopropyl amyl carbinol

: 66-25-1
hexanal

Conditions

Conditions	Yield
With lead(IV) acetate; lithium chloride In benzene at 80℃;	95%

: 693-02-7
hex-1-yne

: 66-25-1
hexanal

Conditions

Conditions	Yield
With chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium; water In isopropyl alcohol at 100℃; for 12h;	95%
With water; C46H53F3N4O4P2RuS In acetone at 69 - 72℃; for 36h; Product distribution; Further Variations:; Catalysts; Reagents; anti-Markovnikov hydration;	96 % Spectr.
With water; ruthenium In benzene-d6 at 70℃; Product distribution; Further Variations:; Catalysts;

: 1927-63-5
2-hexyloxy-tetrahydro-pyran

: 66-25-1
hexanal

Conditions

Conditions	Yield
With aluminium trichloride; tetramethylammonium chlorochromate In acetonitrile for 1h; Heating;	94%

: 111-25-1
1-bromo-hexane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With 4-methylmorpholine N-oxide; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride; potassium iodide at 100℃; for 0.0833333h; Microwave irradiation; Ionic liquid;	94%
With dihydrogen peroxide In ethanol for 7h; Reflux; Green chemistry;	62%

: 73188-53-1
1,1'-bis(phenylthio)hexane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid In dichloromethane for 1h; Ambient temperature;	92%

: 6033-61-0
hexanal oxime

: 66-25-1
hexanal

Conditions

Conditions	Yield
With water; Dess-Martin periodane In dichloromethane at 5℃; for 0.5h;	92%
With molybdenum(V) chloride; zinc In acetonitrile at 20℃; for 0.333333h;	78%
With potassium sulfate; potassium hydrogensulfate; potassium peroxomonosulfate; acetic acid In water at 40 - 45℃; for 5h;	70%
With iodine at 45 - 60℃; for 0.183333h; Reagent/catalyst; Microwave irradiation;	70%

: 13389-42-9
trans-2-Octene

: 66-25-1
hexanal

Conditions

Conditions	Yield
With cobalt(II) 5,10,15,20-tetraphenylporphyrin; naphthalene; oxygen; isovaleraldehyde at 80℃; under 760.051 Torr; for 6h;	92%
Stage #1: trans-2-Octene With cis-[Ru(2,9-Me2phen)2(OH2)2](PF6)2 In acetonitrile at 55℃; for 0.5h; Stage #2: With dihydrogen peroxide In acetonitrile for 8h;
Multi-step reaction with 3 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0 - 20 °C / Inert atmosphere 2: sulfuric acid / acetonitrile; water / 20 °C 3: C21H12Cl6NO4V / toluene / 3 h / 100 °C / 760.05 Torr View Scheme

: 17888-62-9
hexanoxytrimethylsilane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With aluminium trichloride; tetramethylammonium chlorochromate In acetonitrile for 1.33333h; Heating;	90%

: 764-60-3
hex-2-yn-1-ol

: 66-25-1
hexanal

Conditions

Conditions	Yield
With 20 % Pd(OH)2/C; hydrogen In benzene at 20℃; for 0.5h;	90%

: 10051-44-2
sodium caproate

: 66-25-1
hexanal

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 0.5h; Ambient temperature;	87%

: 5830-30-8
N,N-dimethylhexanamide

: 66-25-1
hexanal

Conditions

Conditions	Yield
With sodium aluminum tetrahydride In tetrahydrofuran at 0℃; for 3h;	86%
With diethyl ether; lithium diethoxyaluminum hydride
With sodium diethylpiperidinohydroaluminate In tetrahydrofuran at 0℃; for 3h;	96 % Chromat.

: 74585-39-0
2-n-pentyl-1,3-dithiolane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With sodium nitrate; sulfuric acid; silica gel In dichloromethane at 20℃; for 0.416667h;	86%
With polystyryl-mercury trifluoroacetate; water In dichloromethane at 23℃; for 96h; Product distribution; var. temp., and time, var. solvents; other thioacetals and thioketals;	42 % Chromat.

: 5063-65-0
1,2-epoxyheptane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With sodium paraperiodate; sulfuric acid In water at 20℃; for 0.5h;	85%

: 109-67-1
1-penten

: 201230-82-2
carbon monoxide

A: 123-15-9
2-methylvaleraldehyde

B: 66-25-1
hexanal

Conditions

Conditions	Yield
With acetylacetonatodicarbonylrhodium(l); hydrogen; triphenylphosphine In neat (no solvent) at 80℃; under 7500.75 Torr; for 1h; Catalytic behavior; Time; Autoclave;	A 11.1% B 83.7%
With hydrogen; (polymer-PPh2)2Ru(CO)3 In benzene at 140℃; under 51714.8 Torr; for 20h; Product distribution; further temperature, pressure; other catalysts;
With water; dodecacarbonyltetrairidium In methanol at 150℃; under 41371.8 Torr; for 0.5h; Product distribution; other group 8 transition-metal catalysts;

...Expand

: hex-1-enylboronic acid

: 66-25-1
hexanal

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 20℃; under 760.051 Torr; for 31h; Irradiation; Green chemistry;	83%

: 693-02-7
hex-1-yne

A: 591-78-6
n-hexan-2-one

B: 66-25-1
hexanal

Conditions

Conditions	Yield
With sodium hydroxide; thexylbromoborane dimethyl sulfide complex; dihydrogen peroxide Product distribution; directive effect of thexylhaloborane-methyl sulfide in the hydroboration of alkynes; further reagents; multistep reaction;	A n/a B 82%
With water; ; (pentafluorophenyl)diphenylphosphine In isopropyl alcohol at 65℃; for 12h; Title compound not separated from byproducts;	A 3.0 % Chromat. B 71 % Chromat.
Stage #1: hex-1-yne With aniline; bis(trimethylsilyl)acetylenetitanocene In toluene at 85℃; for 24h; Stage #2: With hydrogenchloride Title compound not separated from byproducts;
With C35H44F3N5O3PtS In benzene-d6; water; acetone for 24h; Glovebox; Sealed tube; Heating; Inert atmosphere;	A 21 %Spectr. B 79 %Spectr.

: 142-61-0
Hexanoyl chloride

: 66-25-1
hexanal

Conditions

Conditions	Yield
With sodium tris(tert-butoxo)aluminium hydride In tetrahydrofuran; diethylene glycol dimethyl ether at -78℃; for 1h;	81%
Stage #1: Hexanoyl chloride With aluminium hydride In tetrahydrofuran at 20℃; for 1h; Metallation; Stage #2: With pyridinium chlorochromate In tetrahydrofuran; dichloromethane at 20℃; for 6h; Oxidation;	81%
With tri-n-butyl-tin hydride; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran at 25℃; for 0.25h;	80%

: 61103-84-2
benzyl hexyl ether

A: 638-51-7
1-hexyl nitrite

B: 100-52-7
benzaldehyde

C: 66-25-1
hexanal

D: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With nitric acid In dichloromethane at 20℃; for 1h; Further byproducts given;	A n/a B 81% C n/a D n/a

...Expand

: (+/-)-4,5-dimethyl-3-(cis-2-methylcyclopentyloxy)-thiazole-2(3H)-thione

: 688-73-3
tri-n-butyl-tin hydride

A: 35108-31-7
4,5-dimethyl-2-(tributylstannylsulfanyl)-thiazole

B: 66-25-1
hexanal

Conditions

Conditions	Yield
In benzene-d6 at 20℃; for 0.5h; Inert atmosphere; UV-irradiation;	A 81% B 71%

...Expand

: 646-14-0
1-nitrohexane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With dihydrogen peroxide; potassium carbonate In methanol; water for 8h; Ambient temperature;	80%
With sodium perborate for 6h; Ionic liquid;	75%
Stage #1: 1-nitrohexane With potassium hydroxide In methanol Nef reaction; Continuous flow conditions; Stage #2: With potassium permanganate; water In methanol at 25℃; Nef reaction; Sonication; Continuous flow conditions; chemoselective reaction;	74%
With sodium hydroxide; sodium chlorite; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane for 0.7h; Ambient temperature; Yield given;
Multi-step reaction with 2 steps 1: 56 percent / AcONH4 / acetic acid / 10 h / 100 °C 2: aq. H2O2; OH(-); 1-butyl-3-methylimidazolim trifluoromethanesulfonate / 16 h / 25 °C View Scheme

: 107-21-1
ethylene glycol

: 66-25-1
hexanal

: 3515-94-4
2-pentyl-1,3-dioxolane

Conditions

Conditions	Yield
distannoxane 1a In benzene for 0.5h; Mechanism; Product distribution; Heating; other distannoxane catalysts, other aldehydes, other alcohol, other solvents, other reaction times;	100%
With 9.0 wt% H4[SiW12O40] on SiO2 In neat (no solvent) at 60℃; for 6h; Reagent/catalyst; chemoselective reaction;	99%
With Kaolinitic clay In benzene for 2h; Heating;	90%

: 75-52-5
nitromethane

: 66-25-1
hexanal

: 6302-74-5
1-nitroheptan-2-ol

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran; tert-butyl alcohol at 0 - 20℃; for 24h; Henry reaction;	100%
With potassium tert-butylate In tetrahydrofuran; tert-butyl alcohol Addition;	99%
With (S,S)-1,2-diaminocyclohexane; copper(II) acetate monohydrate In ethanol at 20℃; for 12h; Henry reaction; Inert atmosphere; enantioselective reaction;	99%

: 66-25-1
hexanal

: 142-62-1
hexanoic acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; trans-Re(O)Cl2(OC(CH3)2C(CH3)2O)2P(Ph)3; oxygen In acetonitrile at 30℃; under 760.051 Torr; for 1.1h;	100%
With diphenyl diselenide; dihydrogen peroxide In water at 20℃; for 3h; Green chemistry;	99%
With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; for 3h; Schlenk technique;	99%

: 66-25-1
hexanal

: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With Na-phosphate buffer; horse liver NADH; NAD; sodium formate; <(C5Me5)Rh(bpy-5-OAc)(H2O)>Cl2 at 25℃; for 30h; Product distribution; Mechanism; other ketones, other times, other temperatures, other enzymes;	100%
With sodium aluminum tetrahydride In tetrahydrofuran at 0℃; for 0.0833333h; Product distribution; other aldehydes, ketones, carboxylic acids (also sodium salts), acid chlorides, esters, lactones, epoxides, amides, nitriles, nitrogen and sulfur compounds; var. temp., time and ratio of reagents;	100%
With sodium aluminum tetrahydride In tetrahydrofuran at 0℃; for 0.0833333h;	100%

: 107-19-7
propargyl alcohol

: 66-25-1
hexanal

: 98262-70-5
(R/S)-non-2-yne-1,4-diol

Conditions

Conditions	Yield
Stage #1: propargyl alcohol With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 0.333333h; Inert atmosphere; Stage #2: hexanal With cerium(III) chloride In tetrahydrofuran; hexane Reagent/catalyst;	100%
With n-butyllithium In tetrahydrofuran at -78℃;	93%
Stage #1: propargyl alcohol With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: hexanal In tetrahydrofuran; hexane at -78 - 0℃; for 2h; Inert atmosphere;	86%

: 420-90-6
3-bromo-3,3-difluropropene

: 66-25-1
hexanal

: 131437-07-5
3,3-difluoro-1-nonen-4-ol

Conditions

Conditions	Yield
With indium In water for 3h;	100%
With zinc In tetrahydrofuran	47%
With indium In N,N-dimethyl-formamide

: 80436-57-3
[3-(2-Methyl-[1,3]dioxolan-2-yl)-1-methylsulfanyl-propyl]-phosphonic acid diethyl ester

: 66-25-1
hexanal

: 80436-58-4
{2-Hydroxy-1-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-1-methylsulfanyl-heptyl}-phosphonic acid diethyl ester

Conditions

Conditions	Yield
With n-butyllithium	100%

: 72931-54-5
(3,3-diisopropoxy-propyl)-triphenyl-phosphonium bromide

: 66-25-1
hexanal

: 120018-49-7
(Z)-3-nonenal diisopropyl acetal

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran for 12h; -100 deg C to RT;	100%
With sodium hexamethyldisilazane 1.) THF, toluene, RT, 1 h, 2.) from -100 to 0 deg C, 4 h; Yield given. Multistep reaction;
With sodium hexamethyldisilazane 1.) THF, room temp., 1 h; HMPA, 0 deg C, 1 h, 2.) -100 deg C to room temp., overnight; Yield given. Multistep reaction;

: 123445-64-7
2-methylseleno-2-phenylselenopropan

: 66-25-1
hexanal

A: 32773-42-5
butyl methyl selenide

B: 22233-89-2
(phenylseleno)-2-propane

C: 123445-63-6
2-phenylseleno-2-methyl octane-3-ol

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.2h;	A 100% B 10% C 90%

...Expand

: 66-25-1
hexanal

: 101566-91-0
N-(2-methoxyphenyl)-2-<(tributylstannyl)methyl>propenamide

: 101566-97-6
4-hydroxy-N-(2-methoxyphenyl)-2-methylenenonanamide

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -78 - 0℃; for 4h;	100%

: 66-25-1
hexanal

: 1066-54-2
trimethylsilylacetylene

: 69498-66-4
1-trimethylsilyloct-1-yn-3-ol

Conditions

Conditions	Yield
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: hexanal In tetrahydrofuran; hexane at -78 - 20℃; for 3h;	100%
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: hexanal In tetrahydrofuran; hexane at 0℃; for 4h;	96%
With n-butyllithium In hexane at 25℃; for 1.5h;	80%

: 66-25-1
hexanal

: 64935-38-2, 99915-14-7, 13019-16-4
2-(n-butyl)-2-octenal

Conditions

Conditions	Yield
With 1,3-dimethylimidazolim iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane for 3h; Heating;	100%
With N-benzyl-N,N,N-triethylammonium chloride; 1-chloro-1-fluoromethyl phenyl sulfone In tetrahydrofuran at 20℃; for 4h;	85%
With L-Tryptophan In water at 20℃; for 3h; Catalytic behavior; Solvent; Sealed tube; Green chemistry;	78%

: 72320-38-8
3-azidopropan-1-ol

: 66-25-1
hexanal

: 2-Pentyl-5,6-dihydro-4H-[1,3]oxazine

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane Ambient temperature; other reagents: H2SO4, TiCl4, SnCl4, trimethylsilyl triflate;	100%

: 66-25-1
hexanal

: 249890-38-8
(1S,5S,6S,7R)-6,7-epoxy-6-[(E)-2'-carbobenzyloxy-1'-vinyl]-2-oxabicyclo[3.3.0]octan-3-one

: 249890-37-7
(1S,5R,7R,2'R,S,3'R,S)-7-hydroxy-6-[(E,Z)-3'-hydroxyoct-2'-carbobenzyloxy-1'-ylidene]-2-oxabicyclo[3.3.0]octan-3-one

Conditions

Conditions	Yield
With samarium diiodide In tetrahydrofuran at -78℃; for 0.833333h; Condensation;	100%

: 66-25-1
hexanal

: 790699-58-0
(3R)-6,8-dibenzyloxy-9-hydroxy-3-methyl-3,4-dihydro-2H-anthracen-1-one

: 849692-99-5
6,8-bis-benzyloxy-9-hydroxy-2-(1-hydroxy-hexyl)-3-methyl-3,4-dihydro-2H-anthracen-1-one

Conditions

Conditions	Yield
Stage #1: (3R)-6,8-dibenzyloxy-9-hydroxy-3-methyl-3,4-dihydro-2H-anthracen-1-one With TEA; t-butyldimethylsiyl triflate In dichloromethane Stage #2: hexanal With boron trifluoride diethyl etherate at -70℃;	100%

: 66-25-1
hexanal

: 845960-16-9
(5-hexyl-furan-3-yloxy)-trimethyl-silane

: 5-hexyl-2-(1-hydroxy-hexyl)-furan-3-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -78℃; for 1h;	100%

: 66-25-1
hexanal

: 105-34-0
methyl 2-cyanoacetate

: 111735-80-9
(E)-2-cyano-oct-2-enoic acid methyl ester

Conditions

Conditions	Yield
With piperidine; acetic acid at 20℃; for 14h;	100%

: 64715-85-1, 91298-74-7, 127180-88-5
(R)-2-methoxy-1-phenylethylamine

: 66-25-1
hexanal

: C15H23NO

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane at 20℃; for 12h;	100%

: 3095-95-2
diethylphosphonoacetic acid

: 66-25-1
hexanal

: 1871-67-6
(E)-oct-2-enoic acid

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; zinc trifluoromethanesulfonate; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 25℃; for 12h; Horner-Wadsworth-Emmons reaction;	100%

: 866932-09-4
6-({4-[(4-methoxyphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

: 66-25-1
hexanal

: 866932-12-9
6-(hexyl{4-[(4-methoxyphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Conditions

Conditions	Yield
Stage #1: 6-({4-[(4-methoxyphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one; hexanal With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 70℃; for 24h; Stage #2: With sodium hydrogencarbonate In water; 1,2-dichloro-ethane	100%

: 292638-84-7
styrene

: 110-44-1
sorbic Acid

: 66-25-1
hexanal

: 142077-75-6, 142077-76-7, 142247-75-4, 142247-76-5, 142247-77-6
(1RS,2SR)-2-(1-hydroxyhexyl)-3,5-hexadienoic acid

Conditions

Conditions	Yield
In tetrahydrofuran; water; diisopropylamine; pentane	100%

...Expand

: 72748-99-3
(R)-1-Amino-2-(methoxymethyl)pyrrolidine

: 66-25-1
hexanal

: 128718-25-2
C12H24N2O

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; Molecular sieve; Inert atmosphere;	100%

: 5153-67-3
nitrostyrene

: 66-25-1
hexanal

: (+)-(2S)-2-[(R)-2-nitro-1-phenyl-ethyl]-hexanal

Conditions

Conditions	Yield
With : H-D-Pro-Pro-Glu supported on polyethyleneglycol-polystyrene (TentaGel resin) In chloroform; isopropyl alcohol at -15℃; for 19h; optical yield given as %ee; enantioselective reaction;	100%
With 4-methyl-morpholine; C16H26N4O5 In neat (no solvent) at 20℃; for 24h; stereoselective reaction;	100%
With 4-methyl-morpholine; H-D-Pro-L-Pro-L-Glu-NH2*TFA In chloroform; isopropyl alcohol at 20℃; optical yield given as %ee; enantioselective reaction;	98%

: 18971-59-0
1-pentylisonitrile

: 66-25-1
hexanal

: C18H35NO3

Conditions

Conditions	Yield
With water; sodium sulfate at 20℃; for 7h; Passerini Condensation;	100%

: 66-25-1
hexanal

: ethyl isocyano formate

: C11H21NO4

Conditions

Conditions	Yield
With water; sodium tosylate at 20℃; for 7h; Passerini Condensation;	100%

: 75-75-2
methanesulfonic acid

: 66-25-1
hexanal

: C7H13O3S(1-)*Na(1+)

Conditions

Conditions	Yield
With sodium butanolate In butan-1-ol Reflux;	100%

Hexanal Chemical Properties

MF: C₆H₁₂O
MW: 100.16
EINECS: 200-624-5
mp： -56 °C
bp： 130-131 °C(lit.)
density： 0.816 g/mL at 20 °C
vapor density： >1 (vs air)
vapor pressure： 10 mm Hg ( 20 °C)
FEMA： 2557
refractive index： n20/D 1.4035(lit.)
Fp： 90 °F
storage temp： 2-8°C
Water Solubility： 4.8 g/L (20 ^oC)
Sensitive： Air Sensitive
Merck： 14,1760
BRN： 506198
CAS DataBase Reference： 66-25-1(CAS DataBase Reference)

Hexanal Toxicity Data With Reference

1.	skn-rbt 500 mg/24H MLD	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,272.
2.	skn-rbt 14,178 μg/24H open MLD	AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95.
3.	eye-rbt 500 mg/24H MLD	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,272.
4.	orl-rat LD50:4890 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
5.	ihl-rat LCLo:2000 ppm/4H	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.

Hexanal Consensus Reports

1-HEXANAL is reported in EPA TSCA Inventory.

Hexanal Safety Profile

Hazard Codes： Xi
Risk Statements： 10
Safety Statements： 37/39-26-16
RIDADR： UN 1207 3/PG 3
WGK Germany： 1
RTECS： MN7175000
F： 13
Hazard Note： Irritant
HazardClass： 3
PackingGroup： III
Hazardous Substances Data： 66-25-1(Hazardous Substances Data)
Mildly toxic by ingestion and inhalation. An irritant to skin and eyes. Flammable liquid. A dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.

Hexanal Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Hexanal Specification

1、Fire Fighting Measures of Hexanal
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Cool containers with flooding quantities of water until well after fire is out.
2、Handling and Storage of Hexanal
Handling: Use with adequate ventilation. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.

Product Name

Hexanal

Synthetic route

Hexanal Chemical Properties

Hexanal Toxicity Data With Reference

Hexanal Consensus Reports

Hexanal Safety Profile

Hexanal Standards and Recommendations

Hexanal Specification

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