• Name

  Cis-3-hexenyl Acetate

• EINECS 222-960-1
• CAS No. 3681-71-8
• Article Data13
• CAS DataBase
• Density 0.901 g/cm³
• Solubility 1.11g/L at 20℃
• Melting Point
• Formula C₈H₁₄O₂
• Boiling Point 174.2 °C at 760 mmHg
• Molecular Weight 142.198
• Flash Point 67.5 °C
• Transport Information
• Appearance colorless to pale yellow liquid
• Safety 26-36-24/25
• Risk Codes 36/38-10
• Molecular Structure
• Hazard Symbols R36/38:Irritating to eyes and skin.;
• Synonyms 3-Hexen-1-ol,acetate, (3Z)- (9CI);3-Hexen-1-ol, acetate, (Z)- (8CI);(3Z)-Hexen-1-ylacetate;(Z)-3-Hexen-1-ol acetate;(Z)-3-Hexen-1-yl acetate;(Z)-3-Hexenylacetate;(Z)-Hex-3-en-1-yl acetate;3Z-Hexenyl acetate;cis-3-Hexen-1-olacetate;cis-3-Hexenol acetate;cis-3-Hexenyl acetate;cis-3-Hexenyl ethanoate;cis-Hex-3-en-1-yl acetate;
• PSA 26.30000
• LogP 1.90580

Synthetic route

928-96-1

(Z)-3-Hexen-1-ol

108-24-7

acetic anhydride

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
zinc(II) perchlorate at 20℃; for 1.83333h;	99%

928-96-1

(Z)-3-Hexen-1-ol

64-19-7

acetic acid

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With cobalt(II) chloride at 60℃; for 10h;	97%

928-96-1

(Z)-3-Hexen-1-ol

75-36-5

acetyl chloride

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With N,N-dimethyl-aniline In diethyl ether for 2h; Heating;	90%

108-05-4

vinyl acetate

928-96-1

(Z)-3-Hexen-1-ol

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With rape seedlings lipase In hexane at 40℃; for 48h; Reagent/catalyst; Solvent; Molecular sieve; Green chemistry; Enzymatic reaction;	70.3%
With rape seed lipase In hexane at 40℃; for 24h; Enzymatic reaction;

928-96-1

(Z)-3-Hexen-1-ol

111-55-7

ethylene glycol diacetate

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With Candida antarctica lipase B immobilized on a macroporous acrylic resin at 40℃; for 19h; Temperature; Green chemistry; Enzymatic reaction;	70%

928-96-1

(Z)-3-Hexen-1-ol

127-09-3

sodium acetate

108-24-7

acetic anhydride

3681-71-8

(Z)-3-Hexenyl acetate

...Expand

113816-35-6

2-(3-ethyloxiranyl)ethyl acetate

A

3681-71-8

(Z)-3-Hexenyl acetate

B

3681-82-1

acetic acid hex-3-enyl ester

Conditions

Conditions	Yield
With 2-(N,N-dimethylamino)ethanol; samarium diiodide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 2.5h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

1516-17-2

2,4-hexadien-1-ol acetate

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With hydrogen; [Ru(C5Me5)(1,3-COD)]BF4 In acetone at 70℃; under 3750.38 Torr; Product distribution / selectivity;
With hydrogen; 2-methoxy-phenol; [Ru(C5Me5)(1,3-COD)]BF4 In acetone at 70℃; under 3750.38 Torr; Product distribution / selectivity;
With hydrogen; maleic acid; [Ru(C5Me5)(1,3-COD)]BF4 In acetone at 70℃; under 3750.38 Torr; Product distribution / selectivity;

3-hexynyl acetate

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With hydrogen; tetrabutylammonium borohydride In tetrahydrofuran; N,N-dimethyl-formamide at 30℃; under 6080.41 Torr; Autoclave; diastereoselective reaction;	99.6 %Chromat.

928-96-1

(Z)-3-Hexen-1-ol

141-78-6

ethyl acetate

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
at 88℃; under 760.051 Torr; for 2h; Catalytic behavior; Reagent/catalyst;

6789-80-6

(3Z)-hexenal

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aldehyde reductase; nicotinamide adenine dinucleotide phosphate / Enzymatic reaction 2: BAHD acyltransferase / Enzymatic reaction View Scheme

928-96-1

(Z)-3-Hexen-1-ol

72-89-9

acetylcoenzyme A

3681-71-8

(Z)-3-Hexenyl acetate

Conditions

Conditions	Yield
With BAHD acyltransferase Enzymatic reaction;

3681-71-8

(Z)-3-Hexenyl acetate

N-(2-ethyltetrahydrofuran-3-yl)acetamide

Conditions

Conditions	Yield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; O-(2,4-dinitrophenyl)hydroxylamine In 2,2,2-trifluoroethanol at 20℃; for 51h; Inert atmosphere;	61%

3681-71-8

(Z)-3-Hexenyl acetate

Acetic acid 2-((2S,3R)-3-ethyl-oxiranyl)-ethyl ester

Conditions

Conditions	Yield
With perfluoro-cis-2-n-butyl-3-n-propyloxaziridine In chloroform at -60℃; for 0.333333h;	85%

50-00-0

formaldehyd

3681-71-8

(Z)-3-Hexenyl acetate

84143-43-1

Acetic acid (E)-3-hydroxymethyl-hex-4-enyl ester

Conditions

Conditions	Yield
With ethylaluminum dichloride In n-heptane; dichloromethane at 0℃; for 1h;	59%

3681-71-8

(Z)-3-Hexenyl acetate

103239-64-1

Acetic acid 3,4-difluoro-hexyl ester

Conditions

Conditions	Yield
With fluorine In ethanol; chloroform at -75℃;	50%

2-naphthaloyl chloride

2-naphthaloyl chloride

203174-60-1

cis 3-hexen-1-yl 3-(β-naphthyl)-3-oxo-propionate

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran; water

3681-71-8

(Z)-3-Hexenyl acetate

C8H15NO2

Conditions

Conditions	Yield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; O-(2,4-dinitrophenyl)hydroxylamine In 2,2,2-trifluoroethanol at 50℃; for 51h;	61%

3681-71-8

(Z)-3-Hexenyl acetate

201230-82-2

carbon monoxide

680980-39-6

3,5-dimethyl(diacetoxy-λ3-iodanyl)benzene

C11H18O6

C11H18O6

C11H18O6

Conditions

Conditions	Yield
With palladium diacetate; trifluoroborane diethyl ether In toluene; acetonitrile at 20℃; under 760.051 Torr; for 24h; Schlenk technique; Overall yield = 91 %; Overall yield = 47.3 mg; diastereoselective reaction;

...Expand

Cis-3-hexenyl Acetate Chemical Properties

Cis-3-hexenyl Acetate Uses

Cis-3-hexenyl Acetate Toxicity Data With Reference

Cis-3-hexenyl Acetate Consensus Reports

Cis-3-hexenyl Acetate Safety Profile