Basic information
- CAS
72727-65-2- Standard SMILES
CC(O)C1CCC2CCCCC2C1- InChIKey
KEBJPGDSNHGJFB-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 2-Naphthalenemethanol, decahydro-alpha-methyl-
- IUPAC
- 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanol
- English name
- decahydro-alpha-methylnaphthalene-2-methanol
- Molecular formula
- C12H22O
- Molecular weight
- 182.30248
Names & synonyms
72727-65-2alpha-Methyldecahydro-2-napthalenemethanolEINECS 276-798-12-Naphthalenemethanol, decahydro-.alpha.-methyl-2-Naphthalenemethanol, decahydro-alpha-methyl-DTXSID90888177RefChem:476666DTXCID801027459Decahydro-alpha-methylnaphthalene-2-methanol1-(decahydronaphthalen-2-yl)ethan-1-olKEBJPGDSNHGJFB-UHFFFAOYSA-NNS00063615
Show more names
Decahydro-α-methylnaphthalene-2-methanol2-Naphthalenemethanol, decahydro-α-methyl-
Database identifiers
- CAS
72727-65-2- PubChem CID
- 175129
- DTXSID
DTXSID90888177- EC Number
- 276-798-1
- Nikkaji
- J296.364G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 279.7 · 279.7±8.0 °C(Predicted)
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- pka
- 15.13 · 15.13±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenemethanol, decahydro-.alpha.-methyl- (72727-65-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenemethanol, decahydro-.alpha.-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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