4-tert-Octylphenol
Properties
- Molecular formula
- C14H22O
- Molar mass
- 206.33 g/mol
- Exact mass
- 206.1671 Da
- Density
- 0.89 g/mL (at 90 °C)
- Melting point
- 84–85 °C
- Boiling point
- 158 °C (at 20 Torr)
- logP
- 4.11Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritationSkin corrosion/irritation
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 604-075-00-6), via PubChem.
Precautionary statements
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, P501
Identifiers
CAS number
140-66-9SMILES
CC(C)(C)CC(C)(C)c1ccc(O)cc1InChIKey
ISAVYTVYFVQUDY-UHFFFAOYSA-NInChI
InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Phenol, 4-(1,1,3,3-tetramethylbutyl)-
- Phenol, p-(1,1,3,3-tetramethylbutyl)-
- 4-(1,1,3,3-Tetramethylbutyl)phenol
- p-tert-Octylphenol
- p-Octylphenol
- p-(1,1,3,3-Tetramethylbutyl)phenol
- 4-Octylphenol
- NSC 5427
- NSC 7248
- p-t-Octylphenol
- 4-(2,4,4-Trimethylpentan-2-yl)phenol
- 4-(2,2,4-Trimethylpentan-2-yl)phenol
Work with 4-tert-Octylphenol
Similar compounds
Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer25301-02-469 % similar
4-tert-Pentylphenol80-46-662 % similar
2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]3294-03-953 % similar
Triton X-1009002-93-153 % similar
Tris(4-hydroxyphenyl)ethane27955-94-850 % similar
Bisphenol A80-05-750 % similar
4-tert-Butylphenol98-54-450 % similar
Bisphenol B77-40-747 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds