1-[4-(Propan-2-yl)phenyl]ethan-1-ol
Basic information
- CAS
1475-10-1- Standard SMILES
CC(C)c1ccc(C(C)O)cc1- InChIKey
LPWMXVJCBUKVQH-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 1-[4-(Propan-2-yl)phenyl]ethan-1-ol
- IUPAC
- 1-(4-propan-2-ylphenyl)ethanol
- English name
- Benzenemethanol, a-methyl-4-(1-methylethyl)-
- Molecular formula
- C11H16O
- Molecular weight
- 164.24414
Names & synonyms
1475-10-11-[4-(propan-2-yl)phenyl]ethan-1-ol1-(4-isopropylphenyl)ethan-1-ol1-(4-isopropylphenyl)ethanol1-(4-propan-2-ylphenyl)ethanol1-(4-iso-Propylphenyl)ethanolMFCD01070802(S)-1-(4-isopropylphenyl)ethanolSCHEMBL114216SCHEMBL8036449BAA47510AKOS000249482
Show more names
α-Methyl-4-(1-methylethyl)benzenemethanolBenzenemethanol, α-methyl-4-(1-methylethyl)-Benzenemethanol, a-methyl-4-(1-methylethyl)-
AKOS022257943SB47027SB47028AS-94962SY151511a-Methyl-4-(1-methylethyl)benzenemethanolDB-201058EN300-130926
Database identifiers
- CAS
1475-10-1- PubChem CID
- 299156
- EC Number
- 191-604-4
- Nikkaji
- J1.929.656C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 123 °C · 123 °C(Press: 12 Torr)
- Density
- 0.9596 g/cm3 · 0.9596 g/cm3
- pka
- 14.55 · 14.55±0.20(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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-[4-(Propan-2-yl)phenyl]ethan-1-ol can be useful in the preparation of substituted mercaptoacylcysteine derivatives with potential leukotriene A4 hydrolase inhibitory activity.
Upstream & downstream products
Downstream products
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