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Home> Encyclopedia > Hot Product Listed 7   > 7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-
10276-21-8 structure

7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-

Iupac Name:4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CAS No.:10276-21-8
Molecular Weight:154.20626
Molecular Formula:C9H14O2 (isomer)
Names and Identifiers
Synonyms

2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone 2,3-Epoxy-3,5,5-trimethylcyclohexane-1-one 2,3-Epoxy-3,5,5-trimethylcyclohexanone 3,5,5-TriMecthyl-2,3-epoxy cyclohexanon 3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one 3,5,5-Trimethyl-2,3-epoxycyclohexanone 3,5,5-Trimethyl-2-cyclohexenone oxide 4,4,5A-Trimethylperhydro-1-Benzoxiren-2-One 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-triMethyl- 7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-(6CI,7CI,8CI,9CI) a-Isophorone epoxide Isophorone epoxide ISOPHORONE OXIDE Isophoroneoxide NSC 63367 Oxidation of Isophorone

Inchi
InChI=1/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3/t7-,9+/m0/s1
InChkey
ROTNQFPVXVZSRL-UHFFFAOYSA-N
Canonical Smiles
CC1(CC(=O)C2C(C1)(O2)C)C
Properties
Density
1.056
Boiling Point
208.6°Cat760mmHg
Vapour
0.212mmHg at 25°C
Refractive Index
n20/D 1.453(lit.)
Flash Point
76.5°C
HS Code
2932999099
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/21/22
Safety Statements
23-36
Transport
UN 1993 / PGIII
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:154.20626g/mol
  • Molecular Formula:C9H14O2
  • Exact Mass:154.09938
  • Monoisotopic Mass:154.09938
  • Complexity:220
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.6
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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