404675
Isophorone oxide
99%
Synonym(s):
2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone, 2,3-Epoxy-3,5,5-trimethylcyclohexanone, 3,5,5-Trimethyl-2,3-epoxycyclohexanone, 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one, Epoxyisophorone
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About This Item
Empirical Formula (Hill Notation):
C9H14O2
CAS Number:
Molecular Weight:
154.21
NACRES:
NA.23
PubChem Substance ID:
UNSPSC Code:
12162002
MDL number:
InChI
1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
SMILES string
CC1(C)CC(=O)C2OC2(C)C1
InChI key
ROTNQFPVXVZSRL-UHFFFAOYSA-N
assay
99%
refractive index
n20/D 1.453 (lit.)
bp
75-76 °C/6 mmHg (lit.)
density
0.994 g/mL at 25 °C (lit.)
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Tetyana Kobets et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 115, 228-243 (2018-03-20)
Genotoxicity of flavor and fragrance materials was assessed in Turkey Egg Genotoxicity Assay (TEGA) using 32P-nucleotide postlabeling (NPL) and comet assays to detect hepatic DNA adducts and strand breaks. Twenty materials having results in GADD45a-Gluc 'BlueScreen HC' genotoxicity assay, and
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