Basic information
- CAS
1596-19-6- Standard SMILES
Cc1cccc(C2CCCC2)c1O- InChIKey
DYQPZDLXQPYGSU-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 6-Cyclopentyl-o-cresol
- IUPAC
- 2-cyclopentyl-6-methylphenol
- English name
- 6-cyclopentyl-o-cresol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
6-Cyclopentyl-o-cresol2-cyclopentyl-6-methylphenol1596-19-6EINECS 216-479-6SCHEMBL466853DTXSID40166694NS00025198Phenol, 2-cyclopentyl-6-methyl-
Database identifiers
- CAS
1596-19-6- PubChem CID
- 74135
- DTXSID
DTXSID40166694- EC Number
- 216-479-6
- Nikkaji
- J206.835D
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 161
Physicochemical properties
- Boiling point
- 119 · 119-120 °C(Press: 4 Torr)
- Density
- 1.047 g/cm3 · 1.0470 g/cm3
- pka
- 10.72 · 10.72±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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