Basic information
- CAS
72927-88-9- Standard SMILES
CC1(C)CC2C(CCCC2(C)C)CC1=O- InChIKey
DGPIAHAFWKJURE-UHFFFAOYSA-N- Molecular formula
- C14H24O
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.18271539
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, octahydro-3,3,5,5-tetramethyl-
- IUPAC
- 3,3,5,5-tetramethyl-4,4a,6,7,8,8a-hexahydro-1H-naphthalen-2-one
- English name
- octahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-one
- Molecular formula
- C14H24O
- Molecular weight
- 208.34
Names & synonyms
72927-88-9EINECS 277-029-22(1H)-Naphthalenone, octahydro-3,3,5,5-tetramethyl-DTXSID80888202RefChem:439766DTXCID4010274833,3,5,5-tetramethyloctahydronaphthalen-2(1h)-oneOctahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-oneDGPIAHAFWKJURE-UHFFFAOYSA-NNS000606033,4,4a,5,6,7,8,8a-Octahydro-3,3,5,5-tetramethylnaphthalen-2(1H)-one
Database identifiers
- CAS
72927-88-9- PubChem CID
- 166357
- DTXSID
DTXSID80888202- EC Number
- 277-029-2
- Nikkaji
- J318.894I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 105 °C · 105 °C(Press: 3 Torr)
- Density
- 0.898 · 0.898±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2(1H)-Naphthalenone, octahydro-3,3,5,5-tetramethyl- (72927-88-9)
- 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: 2(1H)-Naphthalenone, octahydro-3,3,5,5-tetramethyl-
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 Information2(1H)-Naphthalenone, octahydro-3,3,5,5-tetramethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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