α-Ethyl-α-methylbenzenepropanol
Properties
- Molecular formula
- C12H18O
- Molar mass
- 178.28 g/mol
- Exact mass
- 178.1358 Da
- Density
- 0.9552 g/mL (at 20 °C)
- Melting point
- 3 °C
- Boiling point
- 253–255 °C
- logP
- 2.78Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Not classified as hazardous under GHS by 1,637 ECHA notifiers. Aggregated from 1,637 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
10415-87-9SMILES
CCC(C)(O)CCc1ccccc1InChIKey
AEJRTNBCFUOSEM-UHFFFAOYSA-NInChI
InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzenepropanol, α-ethyl-α-methyl-
- 3-Pentanol, 3-methyl-1-phenyl-
- Phenylethyl(ethyl)methyl carbinol
- Phenethylmethylethylcarbinol
- 3-Methyl-1-phenyl-3-pentanol
- 3-Methyl-5-phenyl-3-pentanol
- (±)-5-Phenyl-3-methyl-3-pentanol
- (±)-3-Methyl-1-phenyl-3-pentanol
- 1-Phenyl-3-methyl-3-pentanol
- NSC 60568
- Ethyl methyl β-phenylethyl carbinol
- (2-Phenylethyl)methylethylcarbinol
Work with α-Ethyl-α-methylbenzenepropanol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methyl-4-phenyl-2-butanol103-05-955 % similar
3-Methyl-3-pentanol77-74-748 % similar
3-Methyl-3-heptanol5582-82-147 % similar
3-Methyl-3-octanol5340-36-345 % similar
3,6-Dimethyl-3-heptanol1573-28-044 % similar
3-Methyl-3-nonanol21078-72-844 % similar
2,2-Dimethyl-4-phenylbutanoic acid4374-44-143 % similar
2-Methyl-1-phenyl-2-propanol100-86-742 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds