4-Butylphenol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 0.978 g/mL (at 20 °C)
- Melting point
- 22 °C
- Boiling point
- 248 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed30.4% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage28.1% of notifiers
Aggregated from 135 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501
Identifiers
CAS number
1638-22-8SMILES
CCCCc1ccc(O)cc1InChIKey
CYYZDBDROVLTJU-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Phenol, 4-butyl-
- Phenol, p-butyl-
- p-Butylphenol
- p-Hydroxybutylbenzene
- 1-(p-Hydroxyphenyl)butane
- 4-n-Butylphenol
- p-n-Butylphenol
- p-Hydroxy-n-butylbenzene
- NSC 407848
Work with 4-Butylphenol
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
4-Pentylphenol14938-35-387 % similar
1-Nonyl-4-phenol104-40-583 % similar
4-N-Octylphenol1806-26-483 % similar
4-N-Heptylphenol1987-50-483 % similar
4-Propylphenol645-56-774 % similar
4-(4-N-Propylphenyl)phenol59748-39-965 % similar
1-Bromo-4-butylbenzene41492-05-162 % similar
n-Butylbenzene104-51-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.