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Merck
CN

W270709

Sigma-Aldrich

6-甲基-5-庚烯-2-酮

≥98%, FCC, FG

别名:

Methyl heptenone, Sulcatone

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About This Item

线性分子式:
(CH3)2C=CHCH2CH2COCH3
CAS号:
分子量:
126.20
FEMA编号:
2707
Beilstein:
1741705
EC 号:
欧洲委员会编号:
149
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
7.015
NACRES:
NA.21
性状检查:
apple; musty; fruity
等级:
FG
Fragrance grade
Halal
Kosher
生物来源:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
食品过敏原:
no known allergens

生物来源

synthetic

质量水平

等级

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

管理合规性

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

方案

≥98%

折射率

n20/D 1.439 (lit.)

沸点

73 °C/18 mmHg (lit.)

密度

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

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

性状检查

apple; musty; fruity

SMILES字符串

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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一般描述

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

象形图

Flame

警示用语:

Warning

危险声明

危险分类

Flam. Liq. 3

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

132.8 °F - closed cup

闪点(°C)

56 °C - closed cup

个人防护装备

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

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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
Tadeu Leonardo et al.
The journal of physical chemistry. A, 112(29), 6636-6645 (2008-07-01)
A combined density functional theory and transition-state theory study of the mechanisms and reaction coefficients of gas-phase ozonolysis of geraniol-trans, 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal is presented. The geometries, energies, and harmonic vibrational frequencies of each stationary point were determined by B3LYP/6-31(d,p)
W A Wolken et al.
Journal of agricultural and food chemistry, 48(11), 5401-5405 (2000-11-23)
Under alkaline conditions, amino acids or proteins catalyze the deacetylation of citral, a major aroma component, resulting in methylheptenone and acetaldehyde formation. 3-Hydroxycitronellal is an intermediate in this reaction. Amino acids also catalyze the cis-trans isomerization of the pure isomers
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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