CAS Registry Number®
98-73-7
CAS Name
4-tert-Butylbenzoic acid
Molecular Formula
C11H14O2
Molecular Mass
178.23
Compound Properties
-
Melting Point (1)
164.5-165.5 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey
InChIKey=KDVYCTOWXSLNNI-UHFFFAOYSA-N
SMILES
C(C)(C)(C)C1=CC=C(C(O)=O)C=C1
Canonical SMILES
O=C(O)C1=CC=C(C=C1)C(C)(C)C
Other Names for this Substance
- Benzoic acid, 4-(1,1-dimethylethyl)-
- Benzoic acid, p–tert-butyl-
- 4-(1,1-Dimethylethyl)benzoic acid
- 4-tert-Butylbenzoic acid
- p–tert-Butylbenzoic acid
- p–t-Butylbenzoic acid
- p–tert-Butylphenylcarboxylic acid
- NSC 4802
- 4-t-Butylbenzoic acid
- 4-Tertiary-butylbenzoic acid
Deleted or Replaced CAS Registry Numbers
2764684-55-9
