Basic information
- CAS
13037-79-1- Standard SMILES
Cc1cccc(O)c1C(C)(C)C- InChIKey
SDJUKATYFRSDAS-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 2-tert-Butyl-3-methylphenol
- IUPAC
- 2-tert-butyl-3-methylphenol
- English name
- 2-tert-Butyl-3-methylphenol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
2-tert-Butyl-3-methylphenol2-tert-Butyl-m-cresol13037-79-1m-Cresol, 2-tert-butyl-Phenol, 2-(1,1-dimethylethyl)-3-methyl-S2NJ28RZ44DTXSID70653362-(1,1-DIMETHYLETHYL)-3-METHYLPHENOLRefChem:483622DTXCID8033980mono-t-butyl-m-cresolMetacresol Impurity 20
Show more names
UNII-S2NJ28RZ44SCHEMBL112587SCHEMBL3929912-(tert-butyl)-3-methylphenol2-tert-Butyl-3-methylphenol #SCHEMBL10434614SCHEMBL10670576SCHEMBL29664137
Database identifiers
- CAS
13037-79-1- PubChem CID
- 83071
- DTXSID
DTXSID7065336- UNII
- S2NJ28RZ44
- Nikkaji
- J101.496J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 23 °C · 23 °C
- Boiling point
- 121 · 121-122 °C(Press: 15 Torr)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
- pka
- 11.45 · 11.45±0.10(Predicted)
- FDA UNII
- 2 NJ28RZ44 · S2NJ28RZ44
- EPA Substance Registry System
- 2 · 2-tert-Butyl-m-cresol (13037-79-1)
- 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 InformationPhenol, 2-(1,1-dimethylethyl)-3-methyl-: INACTIVE
Suppliers1 total
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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