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404675

Sigma-Aldrich

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:
10276-21-8
Molecular Weight:
154.21
MDL number:
MFCD00085465
UNSPSC Code:
12162002
PubChem Substance ID:
24865265
NACRES:
NA.23

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.)

SMILES string

CC1(C)CC(=O)C2OC2(C)C1

InChI

1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3

InChI key

ROTNQFPVXVZSRL-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

181.4 °F - closed cup

Flash Point(C)

83 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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