Octylphenol
Properties
- Molecular formula
- C14H22O
- Molar mass
- 206.33 g/mol
- Exact mass
- 206.1671 Da
- Density
- 0.9392 g/mL (at 20 °C)
- Melting point
- 44–44.5 °C
- Boiling point
- 305–309 °C
- logP
- 4.11Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H312 Harmful in contact with skin93% of notifiers
- H315 Causes skin irritation93% of notifiers
- H318 Causes serious eye damage93% of notifiers
Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P501
Identifiers
CAS number
27193-28-8SMILES
CC(C)(C)CC(C)(C)C1=CC=CC=C1OInChIKey
XSXWOBXNYNULJG-UHFFFAOYSA-NInChI
InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Phenol, (1,1,3,3-tetramethylbutyl)-
- Phenol, octyl-
- (1,1,3,3-Tetramethylbutyl)phenol
- tert-Octylphenol
Work with Octylphenol
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
2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol903-19-563 % similar
2-tert-Butylphenol88-18-653 % similar
2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]3294-03-946 % similar
2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole123307-21-144 % similar
2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole3147-75-944 % similar
2-(Trifluoromethyl)phenol444-30-444 % similar
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene6683-46-143 % similar
1,1,3-Trimethyl-3-phenylindane3910-35-842 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds