2-Ethylphenol

C₈H₁₀OCAS 90-00-6122.17 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₈H₁₀O
Molar mass: 122.17 g/mol
Exact mass: 122.0732 Da
Density: 1.0146 g/mL (at 25 °C)
Melting point: 18 °C
Boiling point: 204.5 °C
pKa: 10.2
Flash point: 78 °C
Water solubility: < 1 g/L (22.2 °C)
logP: 1.95Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed64.9% of notifiers
H312 Harmful in contact with skin39.7% of notifiers
H314 Causes severe skin burns and eye damage36.2% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage36.9% of notifiers
H332 Harmful if inhaled38.8% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 464 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

90-00-6

SMILES

CCc1ccccc1O

InChIKey

IXQGCWUGDFDQMF-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Phenol, 2-ethyl-
Phenol, o-ethyl-
o-Ethylphenol
Phlorol
1-Ethyl-2-hydroxybenzene
NSC 10112
o-Hydroxyethylbenzene

Work with 2-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

1,2-Diethylbenzene135-01-362 % similar 4-Ethylresorcinol2896-60-862 % similar 2-Propylphenol644-35-962 % similar Salicyl alcohol90-01-756 % similar 1-Chloro-2-ethylbenzene89-96-354 % similar 2-(Aminomethyl)phenol932-30-954 % similar Nonylphenol25154-52-353 % similar 2-Heptylphenol5284-22-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6 1-Phenylethanol13323-81-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia