4-(4-Methylphenyl)-4-oxobutanoic acid
Properties
- Molecular formula
- C11H12O3
- Molar mass
- 192.21 g/mol
- Exact mass
- 192.0786 Da
- Melting point
- 94 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
4619-20-9SMILES
Cc1ccc(C(=O)CCC(=O)O)cc1InChIKey
OEEUWZITKKSXAZ-UHFFFAOYSA-NInChI
InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Benzenebutanoic acid, 4-methyl-γ-oxo-
- Propionic acid, 3-p-toluoyl-
- 4-Methyl-γ-oxobenzenebutanoic acid
- β-p-Toluoylpropionic acid
- 3-(p-Methylbenzoyl)propionic acid
- β-(4-Methylbenzoyl)propionic acid
- 3-(4-Methylbenzoyl)propanoic acid
- 4-Oxo-4-(4-methylphenyl)butanoic acid
- 3-(4-Methylbenzoyl)propionic acid
- 3-p-Toluoylpropionic acid
- 4-(4-Methylphenyl)-4-oxobutyric acid
- β-(4-Methylphenyl)propionic acid
- NSC 54788
- 4-Oxo-4-(p-tolyl)butanoic acid
Work with 4-(4-Methylphenyl)-4-oxobutanoic acid
Similar compounds
3-(4-Ethylbenzoyl)propionic acid49594-75-466 % similar
3-Benzoylpropionic acid2051-95-866 % similar
3-(4-Fluorobenzoyl)propionic acid366-77-865 % similar
3-(4-Chlorobenzoyl)propionic acid3984-34-765 % similar
4-Bromo-γ-oxobenzenebutanoic acid6340-79-065 % similar
4-Methoxy-γ-oxobenzenebutanoic acid3153-44-464 % similar
Fenbufen36330-85-563 % similar
3-(P-Tolyl)propionic acid1505-50-661 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.