2-Methyl-4-phenyl-2-butanol

C₁₁H₁₆OCAS 103-05-9164.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆O
Molar mass: 164.25 g/mol
Exact mass: 164.1201 Da
Density: 0.9626 g/mL (at 20.7 °C)
Melting point: 24.5 °C
Boiling point: 144 °C (at 85 Torr)
logP: 2.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation79.9% of notifiers
H412 Harmful to aquatic life with long lasting effects79.2% of notifiers

Aggregated from 1,797 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

103-05-9

SMILES

CC(C)(O)CCc1ccccc1

InChIKey

YXVSKJDFNJFXAJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

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Names and synonyms

16 names · show all

Benzenepropanol, α,α-dimethyl-
2-Butanol, 2-methyl-4-phenyl-
α,α-Dimethylbenzenepropanol
Benzyl-tert-butanol
Phenylethyl dimethyl carbinol
2-(2-Phenylethyl)-2-propanol
2-Hydroxy-2-methyl-4-phenylbutane
4-Phenyl-2-hydroxy-2-methylbutane
Dimethylphenethylcarbinol
1,1-Dimethyl-3-phenylpropyl alcohol
1-Phenyl-3-methylbutan-3-ol
1,1-Dimethyl-3-phenylpropanol
2-Phenethyl-2-propanol
4-Phenyl-2-methyl-2-butanol
NSC 62145
1,1-Dimethyl-3-phenyl-1-propanol

Work with 2-Methyl-4-phenyl-2-butanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-1-phenyl-2-propanol100-86-765 % similar α-Ethyl-α-methylbenzenepropanol10415-87-955 % similar 2,2-Dimethyl-4-phenylbutanoic acid4374-44-148 % similar 2,5-Dimethyl-2,5-hexanediol110-03-248 % similar 3,3,3-Trifluoropropylbenzene1579-80-246 % similar 2-Methylpentan-2-ol590-36-346 % similar Bibenzyl103-29-743 % similar Neopentylbenzene1007-26-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 1-Adamantanecarboxaldehyde2094-74-8 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 Jasmone488-10-8 4-tert-Butylanisole5396-38-3 1-Phenyl-1-pentanol583-03-9

Elsewhere

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