CAS Registry Number®
38861-88-0
CAS Name
4-Isobutylbenzoic acid
Molecular Formula
C11H14O2
Molecular Mass
178.23
Compound Properties
-
Melting Point (1)
141-143 °C
Source(s)
- (1) Wang, Bing; Advanced Synthesis & Catalysis, (2009), 351(3), 415-422, CAplus
Other Names and Identifiers
InChI
InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKey
InChIKey=VUBBCFWWSKOHTH-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)CC(C)C
Other Names for this Substance
- Benzoic acid, 4-(2-methylpropyl)-
- 4-(2-Methylpropyl)benzoic acid
- 4-Isobutylbenzoic acid
- p-Isobutylbenzoic acid
- p-(2-Methylpropyl)benzoic acid
- NSC 168984
