4-Ethylbenzoic acid

C9H10O2CAS 619-64-7150.18 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Density
0.9961 g/mL (at 20 °C)
Melting point
112–113 °C
Boiling point
74–76 °C (at 8 Torr)
logP
1.95Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
619-64-7
SMILES
CCc1ccc(C(=O)O)cc1
InChIKey
ZQVKTHRQIXSMGY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 4-ethyl-
  • Benzoic acid, p-ethyl-
  • p-Ethylbenzoic acid
  • NSC 59888

Work with 4-Ethylbenzoic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-Ethylphenyl)benzoic acid5731-13-589 % similar 4-Propylbenzoic acid2438-05-369 % similar 4-Butylbenzoic acid20651-71-265 % similar Terephthalic acid100-21-063 % similar 4-Pentylbenzoic acid26311-45-563 % similar 4-(4-N-Propylphenyl)benzoic acid88038-94-263 % similar 4-(Hydroxymethyl)benzoic acid3006-96-062 % similar 4-Hydroxymethylbenzoic acid96937-45-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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