329517
2,6,6-Trimethyl-2-cyclohexene-1,4-dione
98%
Synonym(s):
4-Oxoisophorone, Ketoisophorone
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About This Item
Empirical Formula (Hill Notation):
C9H12O2
CAS Number:
Molecular Weight:
152.19
Beilstein:
2207030
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
SMILES string
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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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Skin Sens. 1
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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