4-N-Heptylphenol
Properties
- Molecular formula
- C13H20O
- Molar mass
- 192.30 g/mol
- Exact mass
- 192.1514 Da
- Melting point
- 24 °C
- Boiling point
- 165 °C
- logP
- 3.91Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 6
Hazards
Warning
- H302 Harmful if swallowed98.9% of notifiers
- H315 Causes skin irritation98.9% of notifiers
- H319 Causes serious eye irritation98.9% of notifiers
- H400 Very toxic to aquatic life98.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects98.9% of notifiers
Aggregated from 452 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
1987-50-4SMILES
CCCCCCCc1ccc(O)cc1InChIKey
KNDDEFBFJLKPFE-UHFFFAOYSA-NInChI
InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Phenol, 4-heptyl-
- Phenol, p-heptyl-
- 4-Heptylphenol
- p-Hydroxyheptylbenzene
- p-Heptylphenol
- p-Hydroxy-n-heptylbenzene
Work with 4-N-Heptylphenol
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
1-Nonyl-4-phenol104-40-5100 % similar
4-N-Octylphenol1806-26-4100 % similar
4-Pentylphenol14938-35-396 % similar
4-Butylphenol1638-22-883 % similar
4-Propylphenol645-56-768 % similar
Hydrogenated cardanol501-24-665 % similar
1-Bromo-4-dodecylbenzene126930-72-164 % similar
1-(4-Bromophenyl)hexane23703-22-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds