2-Ethyl-m-cresol
Basic information
- CAS
6161-62-2- Standard SMILES
CCc1c(C)cccc1O- InChIKey
OCKYMBMCPOAFLL-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- 2-Ethyl-m-cresol
- IUPAC
- 2-ethyl-3-methylphenol
- English name
- 2-ethyl-m-cresol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19098
Names & synonyms
2-Ethyl-m-cresol2-ethyl-3-methylphenol6161-62-2I192EHO63MUNII-I192EHO63MmethylethylphenolEINECS 228-188-1SCHEMBL659716SCHEMBL984719SCHEMBL8177586SCHEMBL9674011DTXSID00210627
Show more names
Phenol, 2-ethyl-3-methyl-Phenol, 2-ethyl-3-methyl- (9CI)
OCKYMBMCPOAFLL-UHFFFAOYSA-NMB23554DB-261002NS00034747Q27280243
Database identifiers
- CAS
6161-62-2- PubChem CID
- 80266
- DTXSID
DTXSID00210627- UNII
- I192EHO63M
- EC Number
- 228-188-1
- Nikkaji
- J211.427E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Henry's Law Constant
- 1.8 · 1.8×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
- FDA UNII
- 192 EHO63M · I192EHO63M
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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