W270709

Sigma-Aldrich

6-Methyl-5-hepten-2-one

≥98%, FCC, FG

Linear Formula:
(CH3)2C=CHCH2CH2COCH3
CAS Number:
Molecular Weight:
126.20
FEMA Number:
2707
Beilstein/REAXYS Number:
1741705
EC Number:
Council of Europe no.:
149
MDL number:
PubChem Substance ID:
Flavis number:
7.015
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.439 (lit.)

bp

73 °C/18 mmHg (lit.)

density

0.858 g/mL at 20 °C
0.855 g/mL at 25 °C (lit.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

apple; musty; fruity

food allergen

no known allergens

fragrance allergen

no known allergens

SMILES string

C\C(C)=C\CCC(C)=O

InChI

1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

InChI key

UHEPJGULSIKKTP-UHFFFAOYSA-N

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Related Categories

General description

6-Methyl-5-hepten-2-one is one of the main flavor volatile of tomatoes.

Packaging

20 kg in composite drum
8 kg in steel drum
1 kg in glass bottle

Other Notes

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Pictograms

Flame

Signal Word

Warning

Hazard Statements

hazcat

Flam. Liq. 3

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 1

Flash Point(F)

132.8 °F - closed cup

Flash Point(C)

56 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Relationship between sensory and instrumental analysis for tomato flavor.
Baldwin EA, et al.
J. Am. Soc. Hort. Sci., 123(5), 906-915 (1998)
Edna Pesis et al.
Journal of the science of food and agriculture, 90(12), 2114-2123 (2010-07-08)
Californian Granny Smith apples are very susceptible to bitter pit (BP) and superficial scald symptoms that develop during cold storage. The main preventive means are diphenylamine dipping and/or gaseous application of the ethylene inhibitor 1-methylcylclopropene (1-MCP), which is effective against...
E Sprecher et al.
Antonie van Leeuwenhoek, 49(4-5), 493-499 (1983-11-01)
The accumulation of volatile metabolites in cultures of 34 strains comprising ten species of the genus Ceratocystis (Ascomycetes) has been investigated under defined culture conditions. The identified compounds include short-chain alcohols and esters, lower terpenes, terpenoids, and 2-phenylethyl acetate. Certain...
Thangavel Rajagopal et al.
Behavioural processes, 85(1), 58-67 (2010-06-16)
In ungulates the process of chemical communication by urinary scent marking has been directly related to reproductive dominance, territorial defense and proximity to resources. The differences in the frequency of urine marking and chemical composition of urine of males Antelope...
B D Whitaker et al.
Journal of agricultural and food chemistry, 48(6), 2040-2043 (2000-07-11)
Conjugated triene (CT) oxidation products of alpha-farnesene have long been thought to be involved in development of superficial scald in apple fruit. Early studies found that CT hydroperoxides and the volatile 6-methyl-5-hepten-2-one (MHO) are major in vitro autoxidation products of...

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