4-HEXEN-3-ONE

Synonym(s):4-Hexen-3-one, predominantly trans

CAS NO.：2497-21-4
Empirical Formula: C6H10O
Molecular Weight: 98.14
MDL number: MFCD00010631
EINECS: 219-681-2
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-22 15:01:55

What is 4-HEXEN-3-ONE?

Description

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

What are the applications of Application

4-Hexen-3-one, predominantly trans is used to obtain oxidation reference spectra to monitor the oxidation of edible oils by FTIR analysis

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.

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ChEBI: 4-hexen-3-one is an enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group.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.

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.

Properties of 4-HEXEN-3-ONE

Melting point:	-71.05°C (estimate)
Boiling point:	135-137 °C (lit.)
Density	0.858 g/mL at 25 °C (lit.)
refractive index	n20/D 1.44(lit.)
FEMA	3352 \| 4-HEXENE-3-ONE
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
JECFA Number	1125
CAS DataBase Reference	2497-21-4
EPA Substance Registry System	4-Hexen-3-one (2497-21-4)

Safety information for 4-HEXEN-3-ONE

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H226:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.