4-HEXEN-3-ONE

4-HEXEN-3-ONE Basic information
Product Name:4-HEXEN-3-ONE
Synonyms:FEMA 3352;4-HEXEN-3-ONE;4-HEXENE-3-ONE;4-Hexen-3-one, predominantly trans >=90%;4-Hexen-3-one, 98%, mixture of isomers;NSC 245483;(E)-hex-4-en-3-one;Hexen-3-one, predoMinantly
CAS:2497-21-4
MF:C6H10O
MW:98.14
EINECS:219-681-2
Product Categories:C3 to C6;Carbonyl Compounds;Ketones
Mol File:2497-21-4.mol
4-HEXEN-3-ONE Structure
4-HEXEN-3-ONE 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.)
Fp 94 °F
storage temp. Sealed in dry,Room Temperature
Specific Gravity0.855
Odorat 1.00 % in propylene glycol. pungent ethereal spicy green tropical metallic
Odor Typeacidic
JECFA Number1125
LogP1.09
CAS DataBase Reference2497-21-4
EPA Substance Registry System4-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 Yes
HazardClass 3
PackingGroup III
HS Code 29141990
MSDS Information
ProviderLanguage
SigmaAldrich English
4-HEXEN-3-ONE Usage And Synthesis
DescriptionMay 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 Properties4-Hexene-3-one has a pungent, acrid, metallic, ethereal odor
Chemical PropertiesClear colorless to yellow liquid
OccurrenceReported found in cooked chicken, beef and pork
PreparationBy hydration of 4-hexen-2-yne aqueous H2SO4-HgSO4; by hydrogenation of 2-hexen-5-yn-4-one over Pd-CaCO3 catalyst in methanol.
DefinitionChEBI: 4-hexen-3-one is an enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group.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 valuesAroma characteristics at 1.0%: pungent, horseradish and mustard with an ethyl vinyl ketone ethereal note, notes reminiscent of vinegar and rum.
Taste threshold valuesTaste characteristics at 10 ppm: pungent mustard, pepper, horseradish, rum, roasted onion and slightly tropical nuances
General Description4-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 Preparation Products And Raw materials
Raw materials1-Hexene-->TRANS-2-HEXENE
Jasmone TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)YTTERBIUM TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)EUROPIUM(III) THYMOQUINONE PR(TMHD)3 4-CARBETHOXY-2-ETHYL-3-METHYL-2-CYCLOHEXEN-1-ONE 2,5-Dimethyl-3,4-diphenylcyclopentadienone 3,5-DI-TERT-BUTYL-O-BENZOQUINONE 4-CARBETHOXY-3-METHYL-2-CYCLOHEXEN-1-ONE DUROQUINONE 3,5-Dimethyl-2-cyclohexen-1-one 5-METHYL-2-(1-METHYLETHYLIDENE)CYCLOHEXANONE (-)-VERBENONE Isophorone THYMOL BLUE 3-Methyl-2-cyclohexen-1-one Tetraphenylcyclopentadienone 3-Methyl-2-cyclopenten-1-one

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