92410
2,6,6-Trimethyl-2-cyclohexene-1,4-dione
purum, ≥96.0% (GC)
Synonym(s):
4-Oxoisophorone, Ketoisophorone
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About This Item
Empirical Formula (Hill Notation):
C9H12O2
CAS Number:
Molecular Weight:
152.19
EC Number:
214-406-2
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
2207030
MDL number:
grade
purum
assay
≥96.0% (GC)
refractive index
n20/D 1.491 (lit.)
bp
222 °C (lit.), 92-94 °C/11 mmHg (lit.)
mp
26-28 °C (lit.)
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
signalword
Warning
hcodes
pcodes
Hazard Classifications
Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 1
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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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)