Phenol, 5-methyl-2-(1,1,3,3-tetramethylbutyl)-
Basic information
- CAS
3287-10-3- Standard SMILES
Cc1ccc(C(C)(C)CC(C)(C)C)c(O)c1- InChIKey
JIFAIMFIZHUBEK-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- Phenol, 5-methyl-2-(1,1,3,3-tetramethylbutyl)-
- IUPAC
- 5-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 3-Methyl-6-(1,1,3,3-tetramethylbutyl)phenol
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
6-(1,1,3,3-Tetramethylbutyl)-3-cresol6-(1,1,3,3-Tetramethylbutyl)-m-cresolDTXSID2062955Phenol, 5-methyl-2-(1,1,3,3-tetramethylbutyl)-RefChem:369348DTXCID00385963287-10-35-methyl-2-(2,4,4-trimethylpentan-2-yl)phenolSCHEMBL5012933SCHEMBL31108089JIFAIMFIZHUBEK-UHFFFAOYSA-N3-Methyl-6-(1,1,3,3-tetramethylbutyl)phenol
Database identifiers
- CAS
3287-10-3- PubChem CID
- 76782
- DTXSID
DTXSID2062955- Nikkaji
- J421.668G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 299.7 · 299.7±9.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- pka
- 10.42 · 10.42±0.35(Predicted)
- EPA Substance Registry System
- 6 · 6-(1,1,3,3-Tetramethylbutyl)-m-cresol (3287-10-3)
- 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, 5-methyl-2-(1,1,3,3-tetramethylbutyl)-: INACTIVE
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Compound notes
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