ChemicalBook--->CAS DataBase List--->3681-71-8

3681-71-8

3681-71-8 Structure

3681-71-8 Structure
IdentificationMore
[Name]

Leaf acetate
[CAS]

3681-71-8
[Synonyms]

ACETIC ACID CIS-3-HEXEN-1-YL ESTER
ACETIC ACID CIS-3-HEXENYL ESTER
C3 HEXENYL ACETATE
CIS-3-HEXEN-1-YL ACETATE
CIS-3-HEXENYL ACETATE
FEMA 3171
HEX-3(CIS)-ENYL ACETATE
LEAF ACETATE
VERDURAL
(Z)-3-HEXENYL ACETATE
(3Z)-3-Hexenyl acetate
(Z)-3-hexen-1-ol acetate
(Z)-3-Hexen-1-yl, acetate
(Z)-3-hexenol acetate
(Z)-hex-3-en-1-yl acetate
(Z)-Hex-3-enyl acetate
3(Z)-hexenyl acetate
3-Hexen-1-ol,acetate,(Z)-
3-Hexenol acetate, cis
3-hexenylacetate
[EINECS(EC#)]

222-960-1
[Molecular Formula]

C4H6O4Pb
[MDL Number]

MFCD00036563
[Molecular Weight]

325.29
[MOL File]

3681-71-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

75-76 °C23 mm Hg(lit.)
[density ]

0.897 g/mL at 25 °C(lit.)
[vapor pressure ]

2.14hPa at 25℃
[FEMA ]

3171
[refractive index ]

n20/D 1.427(lit.)
[Fp ]

135 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

neat
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. fresh green sweet fruity banana apple grassy
[Odor Type]

green
[Water Solubility ]

1.11g/L at 20℃
[JECFA Number]

134
[BRN ]

1721854
[LogP]

2.7 at 30℃
[CAS DataBase Reference]

3681-71-8(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Hexen-1-ol, acetate, (Z)-(3681-71-8)
[EPA Substance Registry System]

3681-71-8(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[RTECS ]

MP8425050
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29153900
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974).
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(Z)-3-Hexen-1-ol acetate(3681-71-8).msds
Hazard InformationBack Directory
[Description]

cis-3-Hexen-1 -y 1-acetate has a powerful green, floral note reminiscent of banana. It may be prepared by acetylation of the corresponding alcohol.
[Chemical Properties]

(Z)-3-Hexenyl Acetate has been identified in many fruit aromas and green tea. It is a prototype for green odors and is often used in combination with (Z)-3-hexenol.
[Chemical Properties]

cis-3-Hexen-1-yl acetate has a powerful, green, fruity, floral note reminiscent of banana.
[Chemical Properties]

Colorless liquid
[Occurrence]

Reported found in apple, bilberry, guava, strawberry, black and green tea, yellow and purple passion fruit, citrus peel oils, melon, peach, raspberry, pear, pineapple, melon, celery, tomato, corn mint oil, spearmint oil, brandies, grape wines, soybeans, olive, plum, plumcot, starfruit, mango, cauliflower, dill, lovage, corn oil, nectarines, Chinese quince and chamomile oil.
[Uses]

Leaf Acetate increased leaf-feeding herbivores’ egg predation rates by a generalist predator. As a consequence, a plant could reduce the number of herbivores by more than 90% by releasing volatiles.
[Definition]

ChEBI: An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol.
[Preparation]

By acetylation of the corresponding alcohol
[Taste threshold values]

Taste characteristics at 10 ppm: green, fruity, apple and pear with fresh tropical nuances
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 65, p. 2327, 1987 DOI: 10.1139/v87-388
[Flammability and Explosibility]

Flammable
Spectrum DetailBack Directory
[Spectrum Detail]

cis-3-Hexenyl Acetate(3681-71-8)MS
cis-3-Hexenyl Acetate(3681-71-8)1HNMR
cis-3-Hexenyl Acetate(3681-71-8)13CNMR
cis-3-Hexenyl Acetate(3681-71-8)IR1
cis-3-Hexenyl Acetate(3681-71-8)IR2
cis-3-Hexenyl Acetate(3681-71-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

cis-3-Hexenyl acetate, 99%(3681-71-8)
[Sigma Aldrich]

3681-71-8(sigmaaldrich)
[TCI AMERICA]

cis-3-Hexenyl Acetate,>97.0%(GC)(3681-71-8)
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