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W270709

6-Methyl-5-hepten-2-one

≥98%, FCC, FG

Synonym(s):

Methyl heptenone, Sulcatone

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About This Item

Linear Formula:
(CH3)2C=CHCH2CH2COCH3
CAS Number:
110-93-0
Molecular Weight:
126.20
FEMA Number:
2707
Council of Europe no.:
149
UNSPSC Code:
12164502
PubChem Substance ID:
24901275
Flavis number:
7.015
EC Number:
203-816-7
NACRES:
NA.21
MDL number:
MFCD00008905
Beilstein/REAXYS Number:
1741705
Organoleptic:
apple; musty; fruity
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

300, 400

grade

FG, Fragrance grade, Halal, Kosher

agency

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.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

apple; musty; fruity

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

General description

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

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flash_point_c

56 °C - closed cup

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

132.8 °F - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT0280
SHBS7940
SHBR5210
SHBP9945
STBJ7785

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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
Yohko Hanzawa et al.
Journal of oleo science, 61(11), 631-640 (2012-11-10)
3-hydroxy acids, 3-hydroxy-3,7-dimethyloct-6-enoic acid (1) and 3-hydroxy-2,2,3,7-tetramethyloct-6-enoic acid (2), were prepared from 6-methyl-5-hepten-2-one, and they were subsequently used to prepare (2,6,6-trimethyltetrahydropyran-2-yl)acetic acid (3) and 2-methyl-2-(2,6,6-trimethyltetrahydropyran-2-yl)propanoic acid (4), respectively, via cyclization with an acidic catalyst such as boron trifluoride diethyl etherate
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