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trans-2-Hexenyl acetate

Product Nametrans-2-Hexenyl acetate
CAS2497-18-9
MFC8H14O2
MW142.2
EINECS219-680-7
MOL File2497-18-9.mol

Chemical Properties

Melting point	-65.52°C (estimate)
Boiling point	165-166 °C (lit.)
Density	0.898 g/mL at 25 °C (lit.)
FEMA	2564 \| 2-HEXEN-1-YL ACETATE (E)
refractive index	n20/D 1.427(lit.)
Flash point	137 °F
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
solubility	Almost insoluble in water, soluble in alcohol and oils.
form	clear liquid
color	Colorless to Almost colorless
Specific Gravity	0.90
Odor	Powerful and fresh-green, sweet and fruity, very “natural” odor
Odor Type	green
biological source	synthetic
JECFA Number	1355
BRN	1721851
Stability	Stable. Combustible. Incompatible with strong bases, strong oxidizing agents.
Cosmetics Ingredients Functions	FLAVOURING PERFUMING FRAGRANCE
InChI	1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey	HRHOWZHRCRZVCU-AATRIKPKSA-N
SMILES	[H]\C(CCC)=C(\[H])COC(C)=O
LogP	2.58
CAS DataBase Reference	2497-18-9(CAS DataBase Reference)
NIST Chemistry Reference	2-Hexen-1-ol, acetate, (E)-(2497-18-9)
EPA Substance Registry System	2-Hexen-1-ol, acetate, (2E)- (2497-18-9)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36-37/39
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS	MP8425000
TSCA	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29153900
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Description

trans-2-Hexen-l-yl acetate has a pleasant, fruity odor and corresponding taste. This substance may be synthesized by heating at the boil l-bromohexen-2 -ol with sodium acetate and acetic acid.

Chemical Properties

2-Hexen-1-yl acetate has a pleasant, fruity odor and corresponding taste.

Chemical Properties

(E)-2-Hexenyl Acetate occurs in many fruits and in some essential oils, for example, peppermint. It is a fresh, fruity, slightly green-smelling liquid and is used in fruit flavors.

Chemical Properties

clear colorless to slightly yellow liquid

Occurrence

Reported found in Fragaria vesca and other fruits; only the trans-form is known. Also reported in apple, apple juice, apricot, bilberry, guava, peach, blackberry, strawberry fruit and jam, tomato, corn mint oil, spearmint oil, white and red wine, tea, plum, plumcot, mushroom, starfruit, mango, banana and passion fruit.

Uses

trans-2-Hexenyl acetate is the permitted edible flavorings specified in GB 2760-1996.

Preparation

By heating at the boil, 1-bromohexen-2-ol with sodium acetate and acetic acid.

Definition

ChEBI: (E)-hex-2-enyl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid. It has a role as a plant metabolite and a flavouring agent. It is an acetate ester and an olefinic compound. It is functionally related to an (E)-hex-2-en-1-ol.

Taste threshold values

Taste characteristics at 10 ppm: sweet, green, fresh and fruity with a waxy apple background.

trans-2-Hexenyl acetate

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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