2-Propylphenol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Density
- 1 g/mL (at 16 °C)
- Melting point
- 7 °C
- Boiling point
- 220 °C
- logP
- 2.34Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin22.1% of notifiers
- H315 Causes skin irritation16.3% of notifiers
- H319 Causes serious eye irritation16.3% of notifiers
- H332 Harmful if inhaled16.3% of notifiers
- H335 May cause respiratory irritation16.3% of notifiers
Aggregated from 307 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
644-35-9SMILES
CCCc1ccccc1OInChIKey
LCHYEKKJCUJAKN-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Phenol, 2-propyl-
- Phenol, o-propyl-
- o-Propylphenol
- 2-n-Propylphenol
- o-n-Propylphenol
- NSC 65646
Work with 2-Propylphenol
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
Nonylphenol25154-52-371 % similar
2-Heptylphenol5284-22-071 % similar
4-Propylresorcinol18979-60-762 % similar
2-Ethylphenol90-00-662 % similar
2-(2-Hydroxyethyl)phenol7768-28-759 % similar
2-(2-Aminoethyl)phenol2039-66-957 % similar
Salicyl alcohol90-01-752 % similar
2-Propylaniline1821-39-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.