ChemicalBook CAS DataBase List 3681-71-8

3681-71-8

Name	Leaf acetate
CAS	3681-71-8
EINECS(EC#)	222-960-1
Molecular Formula	C4H6O4Pb
MDL Number	MFCD00036563
Molecular Weight	325.29
MOL File	3681-71-8.mol

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

Chemical Properties

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
biological source	synthetic
Odor Type	green
Water Solubility	1.11g/L at 20℃
JECFA Number	134
BRN	1721854
Henry's Law Constant	3.1×10^-2 mol/(m³Pa) at 25℃, Karl et al. (2003)
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	FRAGRANCE PERFUMING FLAVOURING
InChI	1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey	NPFVOOAXDOBMCE-PLNGDYQASA-N
SMILES	[H]\C(CC)=C(/[H])CCOC(C)=O
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 Data

Symbol(GHS)	GHS02
Signal word	Warning
Hazard statements	H226
Precautionary statements	P210-P233-P240-P241-P242-P243
Risk Statements	R36/38:Irritating to eyes and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS	MP8425050
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	III
HS Code	29153900
Storage Class	3 - Flammable liquids
Hazard Classifications	Flam. Liq. 3
Toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Wohl, 1974). less more

Hazard Information

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

Material Safety Data Sheet(MSDS)

Spectrum Detail

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