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Merck
CN

329517

Sigma-Aldrich

2,6,6-三甲基-2-环己烯-1,4-二酮

98%

别名:

4-氧代异佛尔酮, 茶香酮

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About This Item

经验公式(希尔记法):
C9H12O2
CAS号:
分子量:
152.19
Beilstein:
2207030
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

98%

表单

solid

折射率

n20/D 1.491 (lit.)

沸点

222 °C (lit.)
92-94 °C/11 mmHg (lit.)

mp

26-28 °C (lit.)

官能团

ketone

SMILES字符串

CC1=CC(=O)CC(C)(C)C1=O

InChI

1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

InChI key

AYJXHIDNNLJQDT-UHFFFAOYSA-N

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一般描述

2,6,6-Trimethyl-2-cyclohexene-1,4-dione is also known as 4-ketoisophorone and is the major component of saffron spice. It is a cyclic olefin and was reported as a product of the thermal degradation of β-carotene in aqueous suspension.

象形图

Exclamation mark

警示用语:

Warning

危险声明

预防措施声明

危险分类

Skin Sens. 1

储存分类代码

10 - Combustible liquids

WGK

WGK 1

个人防护装备

dust mask type N95 (US), Eyeshields, Faceshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Worldwide market screening of saffron volatile composition.
Maggi L, et al.
Journal of the Science of Food and Agriculture, 89(11), 1950-1954 (2011)
Description of volatile compounds generated by the degradation of carotenoids in paprika, tomato and marigold oleoresins.
Rios JJ, et al.
Food Chemistry, 106(3), 1145-1153 (2008)
Mohamed-Elamir F Hegazy et al.
Zeitschrift fur Naturforschung. C, Journal of biosciences, 63(5-6), 403-408 (2008-08-02)
Stereospecific olefin (C=C) and carbonyl (C=O) reduction of the readily available prochiral compound ketoisophorone (2,2,6-trimethyl-2-cyclohexene-1,4-dione) (1) by Marchantia polymorpha and Nicotiana tabacum cell suspension cultures produce the chiral products (6R)-levodione (2), (4R,5S)-4-hydroxy-3,3,5-trimethylcyclohexanone (3), and (4R,6R)-actinol (4) as well as the
Stefano Raimondi et al.
Journal of biotechnology, 156(4), 279-285 (2011-09-22)
Old yellow enzymes (OYEs, EC 1.6.99.1) are flavin-dependent oxidoreductases that catalyze the stereoselective trans-hydrogenation of the double bond, representing a promising alternative to metal-based catalysis. Bioconversion of ketoisophorone (KIP) by 28 non-conventional yeasts belonging to 16 different species was investigated.
Matthias Lechtenberg et al.
Planta medica, 74(7), 764-772 (2008-05-23)
Extracts from saffron, the dried stigmata from Crocus sativus L., are being used more and more in preclinical and clinical trials for the treatment of cancer and depression. Because of the known quality problems of saffron, HPLC methods on RP(18)

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