2-Ethylhexanol supplier | CasNO.104-76-7

Name
2-Ethylhexanol
EINECS 203-234-3
CAS No. 104-76-7
Article Data177
CAS DataBase
Density 0.821 g/cm³
Solubility Water Solubility :1 g/L (20 °C)
Melting Point -76 °C(lit.)
Formula C₈H₁₈O
Boiling Point 184.6 °C at 760 mmHg
Molecular Weight 130.23
Flash Point 77.2 °C
Transport Information
Appearance colourless liquid
Safety 26-36/37/39
Risk Codes 37/38-41-36-21
Molecular Structure
Hazard Symbols Xn; Xi
Synonyms 2-Ethyl-1-hexanol;2-Ethyl-1-hexyl alcohol;2-Ethylhexylalcohol;Conol 10WS;Ethylhexanol;G 301;NSC 9300;
PSA 20.23000
LogP 2.19510

Synthetic route

: 100528-70-9
2-(2-ethylhexyloxy)-tetrahydro-2H-pyran

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With methanol at 20℃; for 0.5h;	98%
With methanol at 20℃; for 0.916667h;	94%

: 645-62-5
2-ethylhexenal

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With hydrogen at 110℃; under 18751.9 Torr; for 28h; Inert atmosphere;	96%
With Ni/γ-Al2O3 catalyst at 180℃; under 15001.5 Torr; for 1.33333h; Catalytic behavior; Pressure; Temperature; Time;	93.8%
With sodium butanolate at 310℃; unter Druck;

: 149-57-5
2-Ethylhexanoic acid

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide; samarium diiodide; water In tetrahydrofuran for 0.00277778h; Ambient temperature;	94%
With sodium hydroxide; samarium diiodide In tetrahydrofuran; water for 0.00333333h; Ambient temperature;	94%
With nonan-1-al; samarium diiodide; samarium(III) trifluoromethanesulfonate In tetrahydrofuran; methanol; potassium hydroxide at 20℃; for 0.133333h; Reduction;	93 % Chromat.

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

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With hydrogenchloride; Raney(R) nickel 2800; isopropyl alcohol In water for 0.5h; Heating;	90%
With sodium tetrahydroborate; tetrabutylammomium bromide In benzene at 20 - 25℃; for 1h;	85%
With Zr(BH4)2Cl2(dabco)2 In water for 0.5h; Heating;	85%

: 71-36-3
butan-1-ol

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With potassium hydroxide; dichloro(pentamethylcyclopentadienyl) iridium; 1,7-Octadiene In para-xylene at 120℃; for 4h; Guerbet reaction;	83%
With calcium carbide at 275℃; for 6h; Autoclave;	32.6%
With dicarbonyl(η4-3,4-bis(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dienone)(iodine)ruthenium[1,3 -dimethylimidazolium]; p-benzoquinone; sodium hydroxide at 150℃; for 4h; Reagent/catalyst; Schlenk technique; Inert atmosphere;	32.9%

: 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;

: 36653-82-4
1-Hexadecanol

: 5466-77-3
2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

A: 104-76-7
2-Ethylhexyl alcohol

B: 125628-87-7
n-hexadecyl 4-methoxycinnamate

Conditions

Conditions	Yield
With aluminium trichloride 1.) 90 deg C, 50 h, 2.) reflux, 26 h;	A n/a B 75%

...Expand

: 123-72-8
butyraldehyde

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

B: 104-76-7
2-Ethylhexyl alcohol

C: 645-62-5
2-ethylhexenal

D: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With hydrogen at 180℃; under 30003 Torr; for 10h; Catalytic behavior; Autoclave; Inert atmosphere; Green chemistry; Overall yield = 97.7 %;	A 73% B 1.1% C 2% D 4.5%
With hydrogen at 180℃; under 30003 Torr; for 10h; Catalytic behavior; Autoclave; Inert atmosphere; Green chemistry; Overall yield = 91.7 %;	A 54.6% B 0.2% C 27.3% D 2.3%
With hydrogen at 180℃; under 30003 Torr; for 10h; Catalytic behavior; Autoclave; Inert atmosphere; Green chemistry; Overall yield = 100 %;	A 33% B 1.6% C 36.7% D 1.6%
With hydrogen; zeolite NaX; platinum at 150℃; Product distribution; further catalysts; further temperature;

...Expand

: 18908-66-2
2-ethylhexyl bromide

: 123-31-9
hydroquinone

A: 104-76-7
2-Ethylhexyl alcohol

B: 110126-93-7
1,4-bis((2-ethylhexyl)oxy)benzene

Conditions

Conditions	Yield
With ethanol; potassium hydroxide In methanol for 18h; Reflux;	A n/a B 64%

...Expand

: 123-72-8
butyraldehyde

A: 104-76-7
2-Ethylhexyl alcohol

B: 645-62-5
2-ethylhexenal

C: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With hydrogen at 180℃; under 30003 Torr; for 10h; Catalytic behavior; Reagent/catalyst; Autoclave; Inert atmosphere; Green chemistry; Overall yield = 100 %;	A n/a B 22.8% C 58.1%

...Expand

: 112-72-1
1-Tetradecanol

: 5466-77-3
2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

A: 104-76-7
2-Ethylhexyl alcohol

B: 125628-86-6
n-tetradecyl 4-methoxycinnamate

Conditions

Conditions	Yield
With aluminium trichloride 1.) 90 deg C, 50 h, 2.) reflux, 24 h;	A n/a B 57.5%

...Expand

: 112-53-8
1-dodecyl alcohol

: 5466-77-3
2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

A: 104-76-7
2-Ethylhexyl alcohol

B: 122766-67-0
n-dodecyl 4-methoxycinnamate

Conditions

Conditions	Yield
With aluminium trichloride 1.) 90 deg C, 48 h, 2.) reflux, 24 h;	A n/a B 54%

...Expand

: 112-92-5
1-octadecanol

: 5466-77-3
2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

A: 104-76-7
2-Ethylhexyl alcohol

B: 42933-22-2
n-octadecyl 4-methoxycinnamate

Conditions

Conditions	Yield
With aluminium trichloride 1.) 100 deg C, 52 h, 2.) reflux, 26 h;	A n/a B 50.49%

...Expand

: 123-72-8
butyraldehyde

A: 104-76-7
2-Ethylhexyl alcohol

B: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With hydrogen at 180℃; under 30003 Torr; for 10h; Catalytic behavior; Reagent/catalyst; Autoclave; Inert atmosphere; Green chemistry; Overall yield = 100 %;	A 49.4% B 39.6%
With hydrogen at 220℃; under 30003 Torr; for 6h; Catalytic behavior; Temperature; Pressure;

: 112-72-1
1-Tetradecanol

: 21245-02-3
2-ethylhexyl 4-(dimethylamino)benzoate

A: 104-76-7
2-Ethylhexyl alcohol

B: 125628-89-9
n-tetradecyl 4-dimethylaminobenzoate

Conditions

Conditions	Yield
With aluminium trichloride 1.) heating, 58 h, 2.) reflux, 28 h;	A n/a B 48.8%

...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%

: 112-30-1
1-Decanol

: 5466-77-3
2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

A: 104-76-7
2-Ethylhexyl alcohol

B: 125628-85-5
n-decyl 4-methoxycinnamate

Conditions

Conditions	Yield
With aluminium trichloride 1.) 80 deg C, 24 h, 2.) reflux, 10 h;	A n/a B 35.5%

...Expand

: 64-17-5
ethanol

: 141-52-6
sodium ethanolate

A: 111-87-5
octanol

B: 104-76-7
2-Ethylhexyl alcohol

C: 97-95-0
2-ethyl-1-butanol

D: 71-36-3
butan-1-ol

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

Conditions

Conditions	Yield
With [HN-(CH2CH2PiPr2)2]Mn(CO)2Br at 150℃; for 24h; Temperature; Reagent/catalyst; Guerbet Reaction; Schlenk technique;	A n/a B n/a C n/a D 33% E n/a

...Expand

: 112-53-8
1-dodecyl alcohol

: 21245-02-3
2-ethylhexyl 4-(dimethylamino)benzoate

A: 104-76-7
2-Ethylhexyl alcohol

B: 77016-80-9
dodecyl 4-(N,N-dimethylamino)benzoate

Conditions

Conditions	Yield
With aluminium trichloride 1.) heating, 50 h, 2.) reflux, 24 h;	A n/a B 29.37%

...Expand

: 112-92-5
1-octadecanol

: 21245-02-3
2-ethylhexyl 4-(dimethylamino)benzoate

A: 104-76-7
2-Ethylhexyl alcohol

B: 125628-91-3
n-octadecyl 4-dimethylaminobenzoate

Conditions

Conditions	Yield
With aluminium trichloride 1.) heating, 60 h, 2.) reflux, 30 h;	A n/a B 23.6%

...Expand

: 112-30-1
1-Decanol

: 21245-02-3
2-ethylhexyl 4-(dimethylamino)benzoate

A: 104-76-7
2-Ethylhexyl alcohol

B: 125628-88-8
n-decyl 4-dimethylaminobenzoate

Conditions

Conditions	Yield
With aluminium trichloride for 48h; Heating;	A n/a B 19.8%

...Expand

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

A: 104-76-7
2-Ethylhexyl alcohol

B: 7425-14-1
2-ethylhexyl 2-ethylhexanoate

Conditions

Conditions	Yield
With methanol; [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); sodium methylate at 90℃; for 6h;	A 13.9% B 15.3%
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); sodium methylate In methanol at 90℃; for 6h; Reagent/catalyst;	A 15.3% B 13.9%
With methanol; [2-(di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]ruthenium(II) chlorocarbonyl hydride; sodium methylate at 90℃; for 6h;	A 13.2% B 11.6%

alkaline lignin: alkaline lignin

A: 104-76-7
2-Ethylhexyl alcohol

B: 121-33-5
vanillin

C: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

Conditions

Conditions	Yield
With 1-butyl-3-methyl imidazolium tetrachloromanganate(II); ethylammonium nitrate (EAN) at 35℃; for 6h;	A n/a B 10% C n/a

...Expand

: 98-00-0
(2-furyl)methyl alcohol

: 123-72-8
butyraldehyde

A: 90611-73-7
2-furfuryl-butan-1-ol

B: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With potassium hydroxide

...Expand

: 64344-45-2
(E)-2-ethyl-2-hexenal

: 497-19-8
sodium carbonate

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
at 150 - 200℃; Kinetics; Hydrogenation;

: 1632-16-2
2-ethyl-1-hexene

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With aluminium; Petroleum ether nachfolgende Hydrierung, Behandeln mit Sauerstoff und Erwaermen mit wss.Salzsaeure;
With zirconocene dichloride; oxygen; diisobutylaluminum chloride 1.) 40 deg C, 4 h, 2.) 4 h; Yield given. Multistep reaction;

: 84612-77-1
3-ethyl-hexanoic acid, ethyl ester

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With ethanol; sodium

: 2983-37-1
ethyl 2-ethylhexanoate

: 104-76-7
2-Ethylhexyl alcohol

Conditions

Conditions	Yield
With ethanol; sodium; toluene

: 108-31-6
maleic anhydride

: 104-76-7
2-Ethylhexyl alcohol

: 142-16-5
bis(2-ethylhexyl) maleate

Conditions

Conditions	Yield
With 3,3′-(2,2-bis(hydroxymethyl)propane-1,3-diyl)bis(1-methyl-1H-imidazol-3-ium) hydrogen sulfate for 2h; Dean-Stark; Reflux;	100%
Bei an einer mit einem Trockenmittel gefuellten Kolonne;

: 85-44-9
phthalic anhydride

: 104-76-7
2-Ethylhexyl alcohol

: 117-81-7
Di(2-ethylhexyl)phthalate

Conditions

Conditions	Yield
With 3,3′-(2,2-bis(hydroxymethyl)propane-1,3-diyl)bis(1-methyl-1H-imidazol-3-ium) hydrogen sulfate for 2h; Dean-Stark; Reflux;	100%
With diacidic ionic liquid supported on magnetic-silica nanoparticles In neat (no solvent) at 118℃; for 1h; Dean-Stark;	100%
tetrabutoxytitanium for 5.41667h; azeotropic distillation;	99.8%

: 104-76-7
2-Ethylhexyl alcohol

: 110-15-6
succinic acid

: 2915-57-3
2-ethyl-hexyl succinate

Conditions

Conditions	Yield
With diacidic ionic liquid supported on magnetic-silica nanoparticles In neat (no solvent) at 180℃; for 0.5h; Dean-Stark;	100%
With toluene-4-sulfonic acid In toluene for 3h; Heating / reflux;	97.46%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h;	97%
With Candida antarctica lipase B In cyclohexane at 45℃; for 24h;	70%
With sulfuric acid; benzene unter Destillation des Reaktionswassers;

: 93-58-3
benzoic acid methyl ester

: 104-76-7
2-Ethylhexyl alcohol

A: 67-56-1
methanol

B: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With phosphorus pentoxide; potassium carbonate; Aliquat 336 In neat (no solvent) under 20 Torr; for 8h; Product distribution; Ambient temperature;	A n/a B 100%
With phosphorus pentoxide; potassium carbonate; Aliquat 336 In neat (no solvent) under 20 Torr; for 8h; Ambient temperature;	A n/a B 100%

...Expand

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 104-76-7
2-Ethylhexyl alcohol

A: 67-56-1
methanol

B: 63468-13-3
2-ethylhexyl methyl terephthalate

Conditions

Conditions	Yield
With phosphorus pentoxide; potassium carbonate; Aliquat 336 In neat (no solvent) under 20 Torr; for 24h; Product distribution; Ambient temperature;	A n/a B 100%
With phosphorus pentoxide; potassium carbonate; Aliquat 336 In neat (no solvent) under 20 Torr; for 24h; Ambient temperature;	A n/a B 100%

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 27247-96-7
2-ethylhexanol nitrate

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 10℃; for 0.0333333h; Large scale;	100%
With sulfuric acid; nitric acid In water at 20 - 51.5℃; for 0.00111111 - 0.00222222h; Product distribution / selectivity;	99%
With nitric acid; urea; europium(III) trifluoromethanesulfonate In cyclohexane at 95℃; for 10h; Catalytic behavior; Solvent; Temperature; Reagent/catalyst; Schlenk technique;	98%

: 1135-24-6
3-(4-hydroxy-3-methoxyphenyl)acrylic acid

: 104-76-7
2-Ethylhexyl alcohol

: ferulic acid (2-ethylhexyl) ester

Conditions

Conditions	Yield
at 50℃; for 120h;	100%
With Novozym 435 at 80℃; under 600.048 Torr; for 144h;
With Novozym435 In neat (no solvent) at 78℃; under 560 Torr; for 24h; Temperature; Enzymatic reaction;

: 104-76-7
2-Ethylhexyl alcohol

: 10175-01-6
bis(2-methoxycarbonylethyl)tin dichloride

: 88261-94-3
di(2-(2-ethyl)hexoxycarbonylethyl)tin dichloride

Conditions

Conditions	Yield
In further solvent(s) addn. of Sn compd. to 2-ethyl-hexanol;	100%

: 104-76-7
2-Ethylhexyl alcohol

: 112-38-9
10-undecenoic acid

: 110007-38-0
2-ethyl-hexyl undecylenate

Conditions

Conditions	Yield
With methanesulfonic acid at 20 - 85℃; for 1.5h; Inert atmosphere;	100%
With toluene-4-sulfonic acid

: 104-76-7
2-Ethylhexyl alcohol

: 5232-99-5
etocrylene

: 6197-30-4
octocrylene

Conditions

Conditions	Yield
In sodium carbonate	99.8%
With sodium methylate In toluene for 8h; Reflux;	144.3 g

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With phenol and titanium tetraisopropoxide resin at 200℃; for 4h; Reagent/catalyst; Dean-Stark; Inert atmosphere;	99.5%
With titanium(IV) isopropylate at 170 - 200℃; Inert atmosphere; Large scale;	99%
With titanium(IV) isopropylate at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale;	99%

: 104-76-7
2-Ethylhexyl alcohol

: 6386-38-5
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate

: 144429-84-5
2-ethylhexyl 3-(3,5-di-tert-butyl-4-hydroxy)phenylpropanoate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 160 - 170℃; for 6h;	99.41%
Stage #1: 2-Ethylhexyl alcohol; methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 20h; Heating;	95%
potassium hydroxide at 155 - 176℃; under 25 - 300 Torr; for 3.2 - 4.2h; Product distribution / selectivity;	97.34 %Chromat.
potassium tert-butylate at 43 - 155℃; under 50 - 300 Torr; for 2.75h; Product distribution / selectivity;	97.1 %Chromat.

: 104-76-7
2-Ethylhexyl alcohol

: 123-04-6
3-(chloromethyl)heptane

Conditions

Conditions	Yield
With hydrogenchloride; N-n-butylalkylpyridinium chlorides; mixture of at 135℃; for 22h; Product distribution / selectivity;	99.3%
With chloro-trimethyl-silane; dimethyl sulfoxide for 0.166667h;	92%
With hydrogenchloride; alkylpyridine hydrochlorides; mixture of at 135℃; for 22 - 34h; Product distribution / selectivity;	81.9%

: 104-76-7
2-Ethylhexyl alcohol

: 77-92-9
citric acid

: 7147-34-4
tris(2-ethylhexyl)propane-1,2,3-tricarboxylate

Conditions

Conditions	Yield
With aluminum sulfate In water; Petroleum ether at 97 - 122℃; for 2.08333h; Temperature;	99.3%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 75℃; for 4h;	87%

: 123-99-9
azelaic acid

: 104-76-7
2-Ethylhexyl alcohol

: 103-24-2
bis(2-ethylhexyl) azelaate

Conditions

Conditions	Yield
With [HSO3-pmim]+[HSO4]-catalyst for 0.333333h; Reagent/catalyst; Microwave irradiation;	99.1%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h;	94%

: 111-20-6
1,10-decanedioic acid

: 104-76-7
2-Ethylhexyl alcohol

: 122-62-3
bis(2-ethylhexyl)sebacate

Conditions

Conditions	Yield
With choline chloride; zinc(II) chloride at 110℃; for 16h;	99%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h; Time; Temperature; Concentration;	99%
With titanium(IV) isopropylate at 150 - 215℃; for 3.5h; Reagent/catalyst; Temperature; Large scale;	97.23%

: 104-76-7
2-Ethylhexyl alcohol

: 64-19-7
acetic acid

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With K5 for 0.75h; Heating;	99%
With polystyrene (PS)-supported 1-(propyl-3-sulfonate) imidazolium hydrosulfate In cyclohexane at 92℃; for 3h; Fischer-Speier esterification method; water segregator;	98.1 %Chromat.
In cyclohexane at 94℃; for 3h; Ionic liquid;	98.6 %Chromat.

: 104-76-7
2-Ethylhexyl alcohol

: 98-59-9
p-toluenesulfonyl chloride

: 78016-72-5
2-ethylhexyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With pyridine In chloroform at 0℃; Inert atmosphere;	99%
With pyridine In water
With pyridine In water
With dmap In pyridine at 0℃; for 12h;

: 104-76-7
2-Ethylhexyl alcohol

: 818-08-6
di(n-butyl)tin oxide

: 10301-02-7
1,1,3,3-tetrabutyl-1,3-bis(2-ethylhexyloxy)distannoxane

Conditions

Conditions	Yield
at 150℃; for 8h; Inert atmosphere; Industry scale;	99%
at 157℃; under 150.015 - 750.075 Torr; for 2.66667h; Inert atmosphere; Large scale;	98%
In toluene at 119 - 130℃; for 3.5 - 12h; Product distribution / selectivity; Heating / reflux;	95%
at 150℃; under 760.051 Torr; for 8.5h; Inert atmosphere; Industry scale;	99 %Spectr.

: 108-05-4
vinyl acetate

: 104-76-7
2-Ethylhexyl alcohol

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 5h; Green chemistry;	99%
With steapsin lipase In hexane at 55℃; for 30h; Enzymatic reaction;	99 %Chromat.

: 104-76-7
2-Ethylhexyl alcohol

: 10375-34-5
2,5-furandicarbonyl dichloride

: 158099-01-5
2,5-furandicarboxylic acid di(2-ethylhexyl) ester

Conditions

Conditions	Yield
at 80 - 100℃; Inert atmosphere;	99%
at 75℃; for 4h;	85%

: 104-76-7
2-Ethylhexyl alcohol

: 121-91-5
isophthalic acid

: 137-89-3
Bis(2-ethylhexyl) isophthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 170 - 220℃; for 4.5h; Large scale;	99%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h;	51%

: 86-73-7
9H-fluorene

: 104-76-7
2-Ethylhexyl alcohol

: 3952-43-0
9-(2-ethylhexyl)-9H-fluorene

Conditions

Conditions	Yield
With potassium tert-butylate In toluene at 120℃; for 24h; Inert atmosphere;	99%

: 104-76-7
2-Ethylhexyl alcohol

: 18908-66-2
2-ethylhexyl bromide

Conditions

Conditions	Yield
With hydrogen bromide; Aliquat 336 In chlorobenzene at 100℃; for 14h; without cat.;	98.8%
With phosphorus tribromide at 20 - 65℃; Large scale;	96.6%
With tribromo-isocyanuric acid; triphenylphosphine In dichloromethane at 20℃; for 1.5h;	67%

: 104-76-7
2-Ethylhexyl alcohol

: 27899-21-4
2,4-diethylglutaric acid

: 499195-64-1
bis(2-ethylhexyl) 2,4-diethylglutarate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 5h; Heating / reflux;	98.4%
With toluene-4-sulfonic acid In toluene for 5h; Heating / reflux;	98.4%

: 75-15-0
carbon disulfide

: 104-76-7
2-Ethylhexyl alcohol

: potassium 2-ethylhexyl xanthate

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 5 - 20℃; for 3.33333h;	98.3%

: 104-76-7
2-Ethylhexyl alcohol

: dimethyl 5,5'-dibromo-[2,2'-bithiophene]-4,4'-dicarboxylate

: bis(2-ethylhexyl) 5,5'-dibromo-[2,2'-bithiophene]-4,4'-dicarboxylate

Conditions

Conditions	Yield
With dmap; oxo[hexa(trifluoroacetato)]tetrazinc In toluene at 110℃; Inert atmosphere; Molecular sieve;	98.3%

: 108-31-6
maleic anhydride

: 104-76-7
2-Ethylhexyl alcohol

: 577-11-7
sodium docusate

Conditions

Conditions	Yield
Stage #1: maleic anhydride; 2-Ethylhexyl alcohol at 60 - 130℃; under 760.051 Torr; for 3.5h; Stage #2: With sodium hydrogensulfite; sodium hydroxide In water at 107℃; for 1h; Reagent/catalyst; Temperature;	98.2%

: 104-76-7
2-Ethylhexyl alcohol

: 65-85-0
benzoic acid

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With titanium(IV) isopropylate In water at 170 - 220℃; for 4.5h; Inert atmosphere;	98%
With hypophosphorous acid; toluene-4-sulfonic acid at 140℃; for 12h;	92%
With toluene-4-sulfonic acid; benzene

2-Ethylhexanol Specification

The CAS registry number of 2-Ethylhexanol is 104-76-7. Its EINECS registry number is 203-234-3. The IUPAC name is 2-ethylhexan-1-ol. In addition, the molecular formula is C₈H₁₈O and the molecular weight is 130.23. It is also called 1-hexanol, 2-ethyl-. What's more, it is a kind of colourless liquid that is nearly insoluble in water but soluble in most organic solvents. And it belongs to the class of Industrial/Fine Chemicals. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire, water source and heat source

Physical properties about this chemical are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.41; (5)ACD/BCF (pH 7.4): 81.41; (6)ACD/KOC (pH 5.5): 811.45; (7)ACD/KOC (pH 7.4): 811.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 40.6 cm³; (14)Molar Volume: 158.4 cm³; (15)Polarizability: 16.09 ×10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.821 g/cm³; (18)Flash Point: 77.2 °C; (19)Enthalpy of Vaporization: 48.98 kJ/mol; (20)Boiling Point: 184.6 °C at 760 mmHg; (21)Vapour Pressure: 0.207 mmHg at 25°C.

Preparation of 2-Ethylhexanol: it is produced industrially by the aldol condensation of n-butyraldehyde, followed by hydrogenation of the resulting hydroxyaldehyde. The n-butyraldehyde is made by hydroformylation of propylene, either in a self-contained plant or as the first step in a fully-integrated facility. The equation is as follows:

2-Ethylhexanol is produced industrially by the aldol condensation of n-butyraldehyde, followed by hydrogenation of the resulting hydroxyaldehyde

Uses of 2-Ethylhexanol: It is commonly used as a low volatility solvent. And it is used in the production of plasticizers, defoaming agents, dispersants, antioxidants and oil additives. In addition, it can be used to get 3-bromomethyl-heptane. This reaction will need reagent 48percent aq. HBr, catalyst aliquat 336 and solvent chlorobenzene. The reaction time is 14 hours at reaction temperature of 100 °C. The yield is about 98.8%.

2-Ethylhexanol can be used to get 3-bromomethyl-heptane

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating respiratory system. And it is harmful in contact with skin. Moreover, it has risk of serious damage to eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CC)CCCC
(2)InChI: InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
(3)InChIKey: YIWUKEYIRIRTPP-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	1860mg/kg (1860mg/kg)		Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse	LD50	intraperitoneal	759mg/kg (759mg/kg)		Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse	LD50	oral	2500mg/kg (2500mg/kg)		Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse	LD50	parenteral	1670mg/kg (1670mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 775, 1979.
rabbit	LD50	oral	1180mg/kg (1180mg/kg)		Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rabbit	LD50	skin	1970mg/kg (1970mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 61, 1974.
rat	LC	inhalation	> 2000ppm/6H (2000ppm)		Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	intraperitoneal	500mg/kg (500mg/kg)		Hydrometallurgy. Vol. 3, Pg. 201, 1978.
rat	LD50	oral	3730mg/kg (3730mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
rat	LD50	parenteral	4600mg/kg (4600mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 775, 1979.
rat	LD50	skin	> 3gm/kg (3000mg/kg)		National Technical Information Service. Vol. OTS0524344,
rat	LD50	subcutaneous	650mg/kg (650mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 61, 1974.

Product Name

2-Ethylhexanol

Synthetic route

2-Ethylhexanol Specification

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