6-Methyl-7-oxabicyclo(4.1.0)heptan-2-one
Basic information
- CAS
21889-89-4- Standard SMILES
CC12CCCC(=O)C1O2- InChIKey
QDIYYQQYVPMKJZ-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 6-Methyl-7-oxabicyclo(4.1.0)heptan-2-one
- IUPAC
- 6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
- English name
- 6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one21889-89-47-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-DTXSID508650207-Oxabicyclo(4.1.0)heptan-2-one, 6-methyl-EINECS 244-637-46-Methyl-7-oxabicyclo(4.1.0)heptan-2-oneRefChem:543953DTXCID00813475244-637-42,3-Epoxy-3-methylcyclohexanone7-OXABICYCLO[4.1.0]HEPTAN-2-ONE,6-METHYL-
Show more names
2,3-EPOXY-3-METHYL-1-CYCLOHEXANONE
MFCD179264412,3-Epoxy-3-methylcyclohexane-1-one3-Methyl-2,3-epoxycyclohexane-1-oneSCHEMBL92257203-methyl-2,3-epoxycyclohexanoneAKOS027252635AS-37982DB-284382
Database identifiers
- CAS
21889-89-4- PubChem CID
- 89547
- DTXSID
DTXSID50865020- EC Number
- 244-637-4
- Nikkaji
- J108.783E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 79 · 79-80 °C(Press: 12 Torr)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 7 · 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl- (21889-89-4)
- TSCA
- TSCA listed
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-
Safety data
- tsca
- TSCA listed
- hs_code
- 2932990090
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-: ACTIVE
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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