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: 2024-12-18 14:07:02
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ChEBI: 4-hexen-3-one is an enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group.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 | n |
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. |
Computed Descriptors for 4-HEXEN-3-ONE
New Products
Tert-butyl bis(2-chloroethyl)carbamate 4-Methylphenylacetic acid N-Boc-D-alaninol N-BOC-D/L-ALANINOL N-octanoyl benzotriazole 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin- 2(1H)-one Furan-2,5-Dicarboxylic Acid DIETHYL AMINOMALONATE HYDROCHLORIDE 1,1’-CARBONYLDIIMIDAZOLE R-2-BENZYLOXY PROPIONIC ACID 1,1’-CARBONYLDI (1,2-4 TRIAZOLE) N-METHYL INDAZOLE-3-CARBOXYLIC ACID (2-Hydroxyphenyl)acetonitrile 4-Bromopyrazole 5-BROMO-2CYANO PYRIDINE 5,6-Dimethoxyindanone 5-broMo-2-chloro-N-cyclopentylpyriMidin-4-aMine 2-(Cyanocyclohexyl)acetic acid 4-methoxy-3,5-dinitropyridine 1-(4-(aminomethyl)benzyl)urea hydrochloride 2-aminopropyl benzoate hydrochloride diethyl 2-(2-((tertbutoxycarbonyl)amino) ethyl)malonate tert-butyl 4- (ureidomethyl)benzylcarbamate Ethyl-2-chloro((4-methoxyphenyl)hydrazono)acetateRelated products of tetrahydrofuran
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