3-Ethylphenol
Properties
- Molecular formula
- C8H10O
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0732 Da
- Density
- 1.0283 g/mL (at 20 °C)
- Melting point
- −4 °C
- Boiling point
- 218.4 °C
- pKa
- 9.9
- Water solubility
- slightly soluble
- logP
- 1.95Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed39% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
- H302 Harmful if swallowed60.5% of notifiers
- H311 Toxic in contact with skin39% of notifiers
- H312 Harmful in contact with skin60.5% of notifiers
- H314 Causes severe skin burns and eye damage62.5% of notifiers
- H315 Causes skin irritation36% of notifiers
- H318 Causes serious eye damage18.5% of notifiers
- H319 Causes serious eye irritation36% of notifiers
- H332 Harmful if inhaled58% of notifiers
- H335 May cause respiratory irritation36% of notifiers
Aggregated from 200 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
620-17-7SMILES
CCc1cccc(O)c1InChIKey
HMNKTRSOROOSPP-UHFFFAOYSA-NInChI
InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Phenol, 3-ethyl-
- Phenol, m-ethyl-
- m-Ethylphenol
- 1-Ethyl-3-hydroxybenzene
- m-Hydroxyethylbenzene
- NSC 8873
Work with 3-Ethylphenol
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
1,3-Diethylbenzene141-93-565 % similar
3-Hydroxybenzyl alcohol620-24-659 % similar
Hydrogenated cardanol501-24-656 % similar
3-Hydroxybenzeneethanol13398-94-255 % similar
1-Ethyl-3-methylbenzene620-14-454 % similar
meta-Tyramine588-05-653 % similar
Resorcinol108-46-352 % similar
1-Bromo-3-ethylbenzene2725-82-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.