ChemicalBook Product Catalog Flavors and fragrances Synthetic fragrances Ketones spices Terpene ketone 4-HEXEN-3-ONE

4-HEXEN-3-ONE

Product Name4-HEXEN-3-ONE
CAS2497-21-4
MFC6H10O
MW98.14
EINECS219-681-2
MOL File2497-21-4.mol

Chemical Properties

Melting point	-71.05°C (estimate)
Boiling point	135-137 °C (lit.)
Density	0.858 g/mL at 25 °C (lit.)
FEMA	3352 \| 4-HEXENE-3-ONE
refractive index	n20/D 1.44(lit.)
Flash point	94 °F
storage temp.	Sealed in dry,Room Temperature
Specific Gravity	0.855
Odor	at 1.00 % in propylene glycol. pungent ethereal spicy green tropical metallic
Odor Type	acidic
biological source	synthetic
JECFA Number	1125
InChI	1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKey	FEWIGMWODIRUJM-HWKANZROSA-N
SMILES	CCC(=O)\C=C\C
LogP	1.09
CAS DataBase Reference	2497-21-4
EPA Substance Registry System	4-Hexen-3-one (2497-21-4)

Safety Information

Hazard Codes	Xn
Risk Statements	10-22-36/37/38
Safety Statements	16-26-36/37/39
RIDADR	UN 1224 3/PG 3
WGK Germany	3
RTECS	MP8659900
TSCA	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29141990
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Description

4-Hexene-3-one may be synthesized by hydration of 4-hexen-2-yne aqueous H2S04/HgS04; by hydrogenation of 2-hexen-5-yn-4-one over PdCaC03 catalyst in methanol.

Chemical Properties

Clear colorless to yellow liquid

Chemical Properties

4-Hexene-3-one has a pungent, acrid, metallic, ethereal odor

Occurrence

Reported found in cooked chicken, beef and pork

Uses

4-HEXEN-3-ONE is used as gB 2760--1996 specifies the permitted use of food flavorings.

Definition

ChEBI: 4-hexen-3-one is an enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group. It has a role as a flavouring agent, a plant metabolite and a human metabolite.

Preparation

By hydration of 4-hexen-2-yne aqueous H2SO4-HgSO4; by hydrogenation of 2-hexen-5-yn-4-one over Pd-CaCO3 catalyst in methanol.

Aroma threshold values

Aroma characteristics at 1.0%: pungent, horseradish and mustard with an ethyl vinyl ketone ethereal note, notes reminiscent of vinegar and rum.

Taste threshold values

Taste characteristics at 10 ppm: pungent mustard, pepper, horseradish, rum, roasted onion and slightly tropical nuances

General Description

4-Hexen-3-one is an unsaturated aldehyde that is reported to occur in strawberry fruit, essential oil of Ruta graveolens and Holigarna grahamii leaves. Due to its fruity fragrance, it is also used in the perfume industry.

4-HEXEN-3-ONE

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

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