Basic information
- CAS
471-79-4- Standard SMILES
CC1(C)CCC[C@]2(C)c3ccccc3CC[C@@H]12- InChIKey
HOJLWWVMRBERAQ-DOTOQJQBSA-N- Molecular formula
- C17H24
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.18780077
Names & identifiers
- Preferred name
- Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4aS,10aS)-
- IUPAC
- (4aS,10aS)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
- English name
- Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4aS,10aS)-
- Molecular formula
- C17H24
- Molecular weight
- 228.37
Names & synonyms
471-79-4RefChem:860523Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4aS,10aS)-(4aS,10aS)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene53649-02-8DTXSID20333125HOJLWWVMRBERAQ-DOTOQJQBSA-NPodocarpa-8(14),9(11),12-triene(4aS,10aα)-1,2,3,4,4a,9,10,10a-Octahydro-1,1,4aβ-trimethylphenanthrene
Database identifiers
- CAS
471-79-4、53649-02-8- PubChem CID
- 484398
- DTXSID
DTXSID20333125- Nikkaji
- J109.268E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 162 · 162-163 °C(Press: 2 Torr)
- Density
- 0.946 · 0.946±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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 Information
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4aS,10aS)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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