ChemicalBook--->CAS DataBase List--->81925-81-7

81925-81-7

81925-81-7 Structure

81925-81-7 Structure
IdentificationMore
[Name]

5-METHYL-2-HEPTEN-4-ONE
[CAS]

81925-81-7
[Synonyms]

5-METHYL-2-HEPTEN-4-ONE
FEMA 3761
FILBERTONE
2-hepten-4-one,5-methyl-
5-methyl-2-hepten-4-on
5-METHYL-2-HEPTEN-4-ONE 98% PREDOMINAN
5-Methyl-2-hepten-4-one,99%
5-METHYL-2-HEPT-4-ONE
5-METHYL-2-HEPTEN-4-ONE IN 10% IN ETHANOL
5-METHYL-2-HEPTEN-4-ONE NATURAL 10% IN ETHANOL
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00792509
[Molecular Weight]

126.2
[MOL File]

81925-81-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-66.9°C (estimate)
[Boiling point ]

170 °C(lit.)
[density ]

0.845 g/mL at 25 °C(lit.)
[FEMA ]

3761
[refractive index ]

n20/D 1.444(lit.)
[Fp ]

126 °F
[Odor]

at 1.00 % in dipropylene glycol. raw nut skin myrcene ketonic sweet hazelnut filbert
[biological source]

synthetic
[Odor Type]

nutty
[JECFA Number]

1133
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3
[InChIKey]

ARJWAURHQDJJAC-UHFFFAOYSA-N
[SMILES]

CC=CC(=O)C(C)CC
[LogP]

1.97
[CAS DataBase Reference]

81925-81-7(CAS DataBase Reference)
[EPA Substance Registry System]

81925-81-7(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 1
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

5-Methyl-2-hepten-4-one has a hazelnut, metallic, buttery odor and a hazelnut, buttery, mushroom taste.
[Chemical Properties]

(2E)-5-Methyl-2-hepten-4-one has a fruity, hazelnut, and green odor reminding of dried fruits and a characteristic, nutty, roasted, and nougat-like hazelnut flavor. It was identified as the character compound of natural hazelnut flavor. Preparation is possible, for example, by Grignard reaction of 2-butyl magnesium chloride with crotonaldehyde and subsequent oxidation or by reaction of 2-methylbutanoyl chloride with propene.
The material is used in fragrances as top-note booster in exotic fruit and citrus notes and in nut, cocoa, coffee, and so on, flavors.
[Chemical Properties]

5-Methyl-2-hepten-4-one has a hazelnut, metallic, buttery odor and a hazelnut, buttery, mushroom taste.
[Occurrence]

Reported found in roasted hazelnuts and roasted filberts.
[Aroma threshold values]

Aroma characteristics at 1.0%: sweet roasted hazelnuts, rich nutty with a roasted nut skin.
[Taste threshold values]

Taste characteristics at 5 ppm: nutty, roasted, coffee, cocoa, brown with an earthy brown and meaty nuance, sugar fondant, delicate, hazelnut, with macadamia and pecan nuances
[Trade name]

Filbertone (Symrise).
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Methyl-2-hepten-4-one, 99%(81925-81-7)
[Sigma Aldrich]

81925-81-7(sigmaaldrich)
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