Basic information
- CAS
63992-50-7- Standard SMILES
CCCCCCCCc1ccc(C)cc1O- InChIKey
RFEBNZPANOXJQC-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- m-Cresol, 6-octyl-
- IUPAC
- 5-methyl-2-octylphenol
- English name
- 3-Methyl-6-octylphenol
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
m-Cresol, 6-octyl-63992-50-76-Octyl-m-cresol6-n-Octyl-m-cresolBRN 2097075DTXSID102139674-06-00-03506 (Beilstein Handbook Reference)RefChem:351541DTXCID401364585-methyl-2-octylphenol3-Methyl-6-octylphenolstarbld0024372
Show more names
Phenol, 5-methyl-2-octyl-
3-Methyl-6-n-octylphenolorb1985671SCHEMBL9504248AKOS040752962T33237
Database identifiers
- CAS
63992-50-7- PubChem CID
- 46324
- DTXSID
DTXSID10213967- Nikkaji
- J67.718C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 141 · 141-143 °C(Press: 3 Torr)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.35(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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