Basic information
- CAS
63449-97-8- Standard SMILES
CC1(C)CC(=O)C2C3CCCCC3C2(C)C1- InChIKey
YFMCAPRFUZKMSF-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 1(2H)-Biphenylenone, decahydro-3,3,4a-trimethyl-
- IUPAC
- 3,3,4a-trimethyl-4,4b,5,6,7,8,8a,8b-octahydro-2H-biphenylen-1-one
- English name
- 5,5,7-trimethyltricyclo[6.4.0.02,7]dodecan-3-one
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
63449-97-81(2H)-Biphenylenone, decahydro-3,3,4a-trimethyl-EINECS 264-166-8DTXSID70886590RefChem:408798DTXCID6010259145,5,7-trimethyltricyclo[6.4.0.02,7]dodecan-3-one3,3,4a-trimethyldecahydrobiphenylen-1(2h)-one5,5,7-Trimethyltricyclo(6.4.0.02,7)dodecan-3-oneDB-306291NS001268965,5,7-trimethyltricyclo[6.4.0.02,7 ]dodecane-3-one
Show more names
3,3,4a-Trimethyl-3,4,4a,4b,5,6,7,8,8a,8b-decahydrobiphenylen-1(2H)-one
Database identifiers
- CAS
63449-97-8- PubChem CID
- 112653
- DTXSID
DTXSID70886590- EC Number
- 264-166-8
- Nikkaji
- J349.188I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 297.4 · 297.4±8.0 °C(Predicted)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1(2H)-Biphenylenone, decahydro-3,3,4a-trimethyl- (63449-97-8)
- TSCA
- TSCA listed
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: 1(2H)-Biphenylenone, decahydro-3,3,4a-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(2H)-Biphenylenone, decahydro-3,3,4a-trimethyl-: INACTIVE
Related reactions
1 records
Compound notes
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