Hexyl acetate supplier | CasNO.142-92-7

Name
Hexyl acetate
EINECS 205-572-7
CAS No. 142-92-7
Article Data140
CAS DataBase
Density 0.878 g/cm³
Solubility immiscible
Melting Point -80 °C
Formula C₈H₁₆O₂
Boiling Point 171.5 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 37.2 °C
Transport Information UN 3272 3/PG 3
Appearance colorless liquid
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols R10:;
Synonyms Hexylalcohol, acetate (6CI);1-Hexyl acetate;Exceed 600;Hexylethanoate;NSC 7323;n-Hexyl acetate;n-Hexyl ethanoate;
PSA 26.30000
LogP 2.12980

Synthetic route

: 108-05-4
vinyl acetate

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With dilithium tetra(tert-butyl)zincate In toluene at 0℃; for 1h; Inert atmosphere;	100%
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 5h; Green chemistry;	99%
With sulfuric acid beim Erhitzen;
With aluminium trichloride at 105℃;
In diethyl ether at 35℃; Candida cylindracea lipase;

: 108-24-7
acetic anhydride

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With sodium hydroxide for 0.0194444h; microwave irradiation;	99%
With H3[P(Mo3O10)4]*nH2O at 20℃; for 0.1h;	97%
With zirconium phosphate In neat (no solvent) at 60℃; for 0.5h; Green chemistry;	96%

: 64-19-7
acetic acid

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With sulfuric acid In neat (no solvent) at 20℃; under 760.051 Torr; for 0.0333333h; Flow reactor;	98%
With tungstophosphoric acid-modified zirconia In toluene at 110℃; for 14h;	95%
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction;	94.8%

: 141-78-6
ethyl acetate

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With hexan-1-amine; C12F18O13Zn4 for 1h; Reflux; Inert atmosphere; chemoselective reaction;	97%
With aluminum oxide; monoaluminum phosphate at 25℃; for 24h;	85%
phosphomolybdic acid hydrate at 65 - 70℃; for 2h;	80%
With recombinant acyltransferase from Mycobacterium smegmatis In aq. phosphate buffer at 25℃; for 0.5h; pH=8; Concentration; Green chemistry; Enzymatic reaction;

: 75-36-5
acetyl chloride

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
bismuth(III) oxychloride at 20℃; for 0.00833333h;	97%
zirconium(IV) oxychloride at 20℃; for 0.00833333h;	96%
In dichloromethane 1.) 0 deg C, 2.) room temperature, 1 h;	93%
at 20℃; for 0.333333h; Rate constant; Kinetics; var. times, and temp.;

: 69775-79-7
tert-butyl 1-hexyl ether

: 64-19-7
acetic acid

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With perchloric acid for 3h; Ambient temperature;	95%

: 557-20-0
diethylzinc

: 108-24-7
acetic anhydride

: 66-25-1
hexanal

A: 116836-35-2
acetic acid 3-octyl ester

B: 142-92-7
1-hexyl acetate

C: 50498-93-6
(R)-(+)-1-ethylhexyl acetate

Conditions

Conditions	Yield
Stage #1: diethylzinc; hexanal With (1R,2S)-(+)-1-cyclohexyl-2-phenyl-2-(N-morpholino)ethanol In hexane; toluene at 0℃; for 3h; Stage #2: acetic anhydride In hexane; toluene	A n/a B n/a C 95%
Stage #1: diethylzinc; hexanal With (1R,2S)-(+)-1-cyclohexyl-2-phenyl-2-(N-morpholino)ethanol In hexane; toluene at 0℃; for 3h; Stage #2: acetic anhydride In hexane; toluene Title compound not separated from byproducts;

...Expand

: 123-54-6
acetylacetone

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With iron(III) chloride; ammonium persulfate In tetrachloromethane; 1,2-dichloro-ethane at 120℃; for 15h;	95%

: 7204-64-0
tributylammonium acetate

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
sulfuric acid under 630 Torr; Heating / reflux;	93.6%
under 630 Torr; Heating / reflux;	82.7%

: 64-19-7
acetic acid

: 1-Hexyloxymethyl-4-methoxy-benzene

A: 142-92-7
1-hexyl acetate

B: 104-21-2
p-methoxybenzyl acetate

Conditions

Conditions	Yield
at 90℃; for 24h;	A 93% B n/a

...Expand

: 111-25-1
1-bromo-hexane

: 127-09-3
sodium acetate

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With polyethylene glycol 400 at 65 - 70℃; for 4h;	92%
tetrabutyl phosphonium bromide at 150℃; under 20 Torr; g.l.p.t.c.;	83%

: 122-79-2
Phenyl acetate

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With 2Zn(2+)C20H14N44C2H3O2(1-)*1.5CH4O In neat (no solvent) at 50℃; for 18h;	92%
With C21H31N2O12Zn2(1+)2H2OC2H3O2(1-) at 50℃; for 20h; Reagent/catalyst; Sealed tube;	80 %Chromat.

: 112-58-3
dihexyl ether

: 108-24-7
acetic anhydride

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
FeCl3-Montmorillonite K-10 at 70℃; for 22h;	90%

: 111-13-7
hexyl-methyl-ketone

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With oxone; silica gel In dichloromethane at 20℃; for 1.5h; Baeyer-Villiger oxidation;	87%
With D-(+)-glucose In aq. buffer at 15℃; for 24h;	78.3%
With bis-trimethylsilanyl peroxide; tin(IV) chloride In dichloromethane at 25℃; for 11h;	69%

: 581-55-5
benzylidene 1,1-diacetate

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With C. antarctica B immobilized lipase In toluene at 60℃; for 4h; Enzymatic reaction;	87%

: 463-51-4
Ketene

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With magnesium oxide for 1h; Ambient temperature;	86%
With boron trifluoride

: 111-25-1
1-bromo-hexane

: 127-08-2
potassium acetate

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With aluminum oxide 1.) water, 2.) 85 deg C, 20 h;	85%

: 1445-45-0
Trimethyl orthoacetate

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With chloro-trimethyl-silane In dichloromethane at 20℃; for 5h;	83%

: 127-08-2
potassium acetate

: perchlorate de n-hexyldiphenylsulfonium

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
In dichloromethane; water at 60℃; for 6.5h;	80%
In dichloromethane; water at 60℃; for 6.5h; Product distribution; other alkylating agents, other reaction conditions;	80%

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

: 141-78-6
ethyl acetate

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With indium (III) iodide for 14h; Heating;	78%

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

: 75-36-5
acetyl chloride

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With montmorillonite K-10 In chloroform at 20℃; for 0.5h;	77%
With zinc In Petroleum ether at 28℃; for 2h;	75%

: 1188-92-7
Trihexylboran; Tri-n-hexylbor

: 546-67-8
lead(IV) tetraacetate

: 693-02-7
hex-1-yne

A: 19780-12-2
5-dodecyne

B: 142-92-7
1-hexyl acetate

C: 74879-47-3
Z-5-acetoxy-5-dodecene

Conditions

Conditions	Yield
In hexane at 60℃; for 36h;	A 45% B 8% C 67%

...Expand

: 1670-46-8
2-acetylcyclopentanaone

: 111-27-3
hexan-1-ol

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With iron(III) chloride; ammonium persulfate In tetrachloromethane; 1,2-dichloro-ethane at 120℃; for 15h;	64%

: 4747-07-3
hexyl methyl ether

: 108-24-7
acetic anhydride

: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
FeCl3-Montmorillonite K-10 at 70℃; for 26h;	63%

: 1188-92-7
Trihexylboran; Tri-n-hexylbor

: 693-02-7
hex-1-yne

A: 19780-12-2
5-dodecyne

B: 142-92-7
1-hexyl acetate

C: 74879-47-3
Z-5-acetoxy-5-dodecene

Conditions

Conditions	Yield
With lead(IV) acetate In hexane at 60℃; for 36h;	A 56% B n/a C 22%

...Expand

: 1188-92-7
Trihexylboran; Tri-n-hexylbor

: 546-67-8
lead(IV) tetraacetate

: 536-74-3
phenylacetylene

A: 142-92-7
1-hexyl acetate

B: 16967-02-5
1-phenyl-1-octyne

C: 74879-49-5
(Z)-1-phenyloct-1-en-1-yl acetate

Conditions

Conditions	Yield
In hexane at 60℃; for 36h;	A n/a B 42% C 53%

...Expand

: 1188-92-7
Trihexylboran; Tri-n-hexylbor

: 536-74-3
phenylacetylene

A: 142-92-7
1-hexyl acetate

B: 16967-02-5
1-phenyl-1-octyne

C: 74879-49-5
(Z)-1-phenyloct-1-en-1-yl acetate

Conditions

Conditions	Yield
With lead(IV) acetate In hexane at 60℃; for 36h;	A n/a B 47% C 13%

...Expand

: (E)-1,3-diethyl-2-(hexyltriaz-2-en-1-ylidene)-2,3-dihydro-1H-imidazole

: 64-19-7
acetic acid

A: 142-92-7
1-hexyl acetate

B: C7H13N3

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 4h; Inert atmosphere;	A 46% B n/a

...Expand

: 52390-72-4, 543-49-7
2-Heptanol

A: 110-43-0
n-pentyl methyl ketone

B: 106-70-7
methyl hexanoate

C: 142-92-7
1-hexyl acetate

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane at 60℃; for 20h;	A 45.1% B 2.5% C 42.9%
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane at 60℃; for 21h; Product distribution; Mechanism; other solvent, temperature, reaction time;

...Expand

: 631-61-8
ammonium acetate

: 111-27-3
hexan-1-ol

A: 592-41-6
1-hexene

B: 111-26-2
hexan-1-amine

C: 142-92-7
1-hexyl acetate

D: 7501-79-3
N-hexylacetamide

E: 66-25-1
hexanal

Conditions

Conditions	Yield
With water at 400℃; for 1h; Product distribution / selectivity;	A 29.4 %Chromat. B 1.9 %Chromat. C 4 %Chromat. D 30.8% E 1.3 %Chromat.
With water at 380 - 420℃; for 0.05 - 1h; Product distribution / selectivity;	A 0.2 - 11.29 %Chromat. B 0.21 - 6.52 %Chromat. C 1.53 - 10.25 %Chromat. D 7.03 - 78.52 %Chromat. E 0.36 - 1.28 %Chromat.

...Expand

: 142-92-7
1-hexyl acetate

: 756-79-6
dimethyl methane phosphonate

: 77304-63-3
Dihexyl methylphosphonate

Conditions

Conditions	Yield
With potassium tert-butylate	95%

: 142-92-7
1-hexyl acetate

: 64-04-0
phenethylamine

A: 877-95-2
methyl-N-(benzyl-methyl)-formamide

B: 24997-83-9
N-hexyl-2-phenylethylamine

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate In neat (no solvent) at 115℃; for 24h; Inert atmosphere; Glovebox; Green chemistry;	A 83% B 61%

...Expand

: 142-92-7
1-hexyl acetate

A: 79-21-0
peracetic acid

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

Conditions

Conditions	Yield
With dihydrogen peroxide; cation exchanger KU-2 x 8 In 1,4-dioxane at 29.9℃; Rate constant; Kinetics; Equilibrium constant; other temperature, other ratio;	A 72% B n/a

: 142-92-7
1-hexyl acetate

: 100-51-6
benzyl alcohol

: hexyl 3-phenylpropionate

Conditions

Conditions	Yield
With C15H17ClIrNOP; potassium tert-butylate In toluene at 60℃; for 12h; Schlenk technique; Inert atmosphere; Glovebox;	68%

: 760-32-7
diethylmethylsilane

: 142-92-7
1-hexyl acetate

: 201230-82-2
carbon monoxide

A: 96206-17-6
(E)-1,2-Bis-(diethyl-methyl-silanyloxy)-oct-1-ene

B: Diethyl-[((E)-hept-1-enyl)oxy]-methyl-silane

C: Diethyl-methyl-((E)-2-methyl-hept-1-enyloxy)-silane

Conditions

Conditions	Yield
dicobalt octacarbonyl In benzene at 200℃; under 38000 Torr;	A 9% B 59% C 10%

...Expand

Hexyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Hexyl acetate Analytical Methods

For occupational chemical analysis use NIOSH: Esters I, 1450.

Hexyl acetate Specification

The IUPAC name of this chemical is Hexyl acetate. With the CAS registry number 142-92-7 and EINECS registry number 205-572-7, it is also named as Aceticacid, hexyl ester. In addition, the molecular formula is C₈H₁₆O₂ and the molecular weight is 144.2. It is a kind of clear colorless to pale yellowish liquid and belongs to the class of Pharmaceutical Intermediates.

Physical properties about this chemical are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.88; (5)ACD/BCF (pH 7.4): 83.88; (6)ACD/KOC (pH 5.5): 829.01 ; (7) ACD/KOC (pH 7.4): 829.01; (8)#H bond acceptors: 2 ; (9) #H bond donors: 0; (10)#Freely Rotating Bonds: 6 ; (11) Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.412 ; (13) Molar Refractivity: 40.88 cm³; (14)Molar Volume: 164 cm³ ; (15) Polarizability: 16.2 ×10^-24cm³; (16)Surface Tension: 27.3 dyne/cm ; (17) Density: 0.878 g/cm³; (18)Flash Point: 37.2 °C ; (19) Enthalpy of Vaporization: 40.79 kJ/mol; (20)Boiling Point: 171.5 °C at 760 mmHg ; (21) Vapour Pressure: 1.39 mmHg at 25°C.

Preparation of Hexyl acetate: it can be prepared by acetic acid and alcohol by esterification reaction. This reaction will need reagent benzene and sulfuric acid. The reaction time is about 2 hours by refluxing.

Uses of Hexyl acetate: it is mainly used as a solvent for resins, polymers, fats and oils. And it is also used as a paint additive to improve its dispersion on a surface. In addition, it can be used to get hexan-1-ol and peroxyacetic acid. This reaction will need reagent H₂O₂, catalyst cation exchanger KU-2 x 8 and solvent dioxane. The yield is about 72%. at reaction temperature of 29.9 °C.

Hexyl acetate can be used to get hexan-1-ol and peroxyacetic acid.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Keep away from sources of ignition and no smoking during using it.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCC)C
(2)InChI: InChI=1/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
(3)InChIKey: AOGQPLXWSUTHQB-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 913, 1974.
rat	LD50	oral	41500uL/kg (41.5mL/kg)		Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Product Name

Hexyl acetate

Synthetic route

Hexyl acetate Consensus Reports

Hexyl acetate Analytical Methods

Hexyl acetate Specification

Related Products

Hot Products