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Name	Cis-3-hexenyl Acetate	EINECS	222-960-1
CAS No.	3681-71-8	Density	0.901 g/cm³
PSA	26.30000	LogP	1.90580
Solubility	1.11g/L at 20℃	Melting Point	N/A
Formula	C₈H₁₄O₂	Boiling Point	174.2 °C at 760 mmHg
Molecular Weight	142.198	Flash Point	67.5 °C
Transport Information	N/A	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;	Article Data	13

Cis-3-hexenyl Acetate 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

: 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;

Cis-3-hexenyl Acetate Chemical Properties

Molecular Structure of cis-3-Hexenol acetate (CAS NO.3681-71-8):

IUPAC Name: [(Z)-hex-3-enyl] acetate
Molecular Formula: C₈H₁₄O₂
Molecular Weight: 142.195560 g/mol
Density: 0.901 g/cm³
Flash Point: 67.5 °C
Enthalpy of Vaporization: 41.06 kJ/mol
Boiling Point: 174.2 °C at 760 mmHg
Vapour Pressure: 1.22 mmHg at 25 °C
Water Solubility: 480.5 mg/L at 25 °C
Refractive Index: n20/D 1.427(lit.)
BRN: 1721854
Synonyms of cis-3-Hexenol acetate (CAS NO.3681-71-8): Cis-3-hexenyl Acetate ; (Z)-3-Hexenyl acetate ; 3-02-00-00287 (Beilstein Handbook Reference) ; 3-Hexen-1-ol, acetate, (Z)- ; 3-Hexenyl acetate, (Z)- ; AI3-34392 ; BRN 1721854 ; EINECS 222-960-1 ; FEMA No. 3171 ; UNII-6INA6GC5I6 ; cis-3-Hexen-1-yl acetate ; cis-3-Hexen-1-yl acetate (natural) ; cis-3-Hexenyl acetate ; cis-3-Hexenyl ethanoate ; 3-Hexen-1-ol, 1-acetate, (3Z)- ; 3-Hexen-1-ol, acetate, (3Z)-

Cis-3-hexenyl Acetate Uses

cis-3-Hexenol acetate (CAS NO.3681-71-8) is used in flavor, jasmine fragrant flavor, tobacco flavor, etc.

Cis-3-hexenyl Acetate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 454, 1975.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 454, 1975.

Cis-3-hexenyl Acetate Consensus Reports

Reported in EPA TSCA Inventory.

Cis-3-hexenyl Acetate Safety Profile

The safety information of cis-3-Hexenol acetate (CAS NO.3681-71-8) is as follows:
Risk Statements:36/38
36/38: Irritating to eyes and skin
Safety Statements:26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
RIDADR:UN 3272 3/PG 3
WGK Germany:2
RTECS:MP8425050
HazardClass:3
PackingGroup:III
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

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