Benzenepropanol, 4-(1,1-dimethylethyl)-alpha-methyl-
Basic information
- CAS
51290-65-4- Standard SMILES
CC(O)CCc1ccc(C(C)(C)C)cc1- InChIKey
OATMQLUGSMOYRV-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- Benzenepropanol, 4-(1,1-dimethylethyl)-alpha-methyl-
- IUPAC
- 4-(4-tert-butylphenyl)butan-2-ol
- English name
- 4-(p-tert-butylphenyl)butan-2-ol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
51290-65-4EINECS 257-114-0Benzenepropanol, 4-(1,1-dimethylethyl)-.alpha.-methyl-p-tert-Butyl-alpha-methylhydrocinnamic alcoholDTXSID00885950Benzenepropanol, 4-(1,1-dimethylethyl)-alpha-methyl-RefChem:563656DTXCID7010253054-(4-tert-butylphenyl)butan-2-ol4-(p-tert-Butylphenyl)butan-2-olSCHEMBL1660004OATMQLUGSMOYRV-UHFFFAOYSA-N
Show more names
4-(para-tert-butyl phenyl) butan-2-ol4-tert-Butyl-α-methylbenzene-1-propanolBenzenepropanol, 4-(1,1-dimethylethyl)-α-methyl-p-tert-Butyl-.alpha.-methylhydrocinnamic alcohol4-(1,1-dimethylethyl)-.alpha.-methyl-Benzenepropanol
AKOS0110195634-(4-(Tert-butyl)phenyl)butan-2-olNS00056930EN300-1866852
Database identifiers
- CAS
51290-65-4- PubChem CID
- 64884
- DTXSID
DTXSID00885950- EC Number
- 257-114-0
- Nikkaji
- J60.250G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- LogP
- 3.837 · 3.837 (est)
- EPA Substance Registry System
- 4 · Benzenepropanol, 4-(1,1-dimethylethyl)-.alpha.-methyl- (51290-65-4)
- 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.
Hazard information
Regulatory InformationChemical: Benzenepropanol, 4-(1,1-dimethylethyl)-.alpha.-methyl-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanol, 4-(1,1-dimethylethyl)-.alpha.-methyl-: ACTIVE
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Compound notes
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