ChemicalBook CAS DataBase List 2497-18-9

2497-18-9

Name	TRANS-2-HEXENYL ACETATE
CAS	2497-18-9
EINECS(EC#)	219-680-7
Molecular Formula	C8H14O2
MDL Number	MFCD00009474
Molecular Weight	142.2
MOL File	2497-18-9.mol

Chemical Properties

Appearance	clear colorless to slightly yellow liquid
Melting point	-65.52°C (estimate)
Boiling point	165-166 °C (lit.)
density	0.898 g/mL at 25 °C(lit.)
FEMA	2564
refractive index	n20/D 1.427(lit.)
Fp	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	at 10.00 % in dipropylene glycol. sweet privet green fresh apple skin banana peel waxy apple
Stability:	Stable. Combustible. Incompatible with strong bases, strong oxidizing agents.
biological source	synthetic
Odor Type	green
JECFA Number	1355
BRN	1721851
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	2497-18-9(EPA Substance)

Safety Data

Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system 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 . S37/39:Wear suitable gloves and eye/face protection . less more
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS	MP8425000
TSCA	Yes
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

Raw materials And Preparation Products

Hazard Information

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

(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

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

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.

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.

Preparation

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

Taste threshold values

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

Spectrum Detail

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