329517
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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关于此项目
经验公式（希尔记法）:
C9H12O2
化学文摘社编号:
分子量:
152.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-406-2
Beilstein/REAXYS Number:
2207030
MDL number:
Assay:
98%
Form:
solid
InChI key
AYJXHIDNNLJQDT-UHFFFAOYSA-N
InChI
1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
SMILES string
CC1=CC(=O)CC(C)(C)C1=O
assay
98%
form
solid
refractive index
n20/D 1.491 (lit.)
bp
222 °C (lit.), 92-94 °C/11 mmHg (lit.)
mp
26-28 °C (lit.)
functional group
ketone
Quality Level
General description
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.
wgk
WGK 1
signalword
Warning
hcodes
pcodes
Hazard Classifications
Skin Sens. 1
存储类别
10 - Combustible liquids
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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)
Worldwide market screening of saffron volatile composition.
Maggi L, et al.
Journal of the Science of Food and Agriculture, 89(11), 1950-1954 (2011)
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.
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
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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