Catalog Number
ACM15687271
Category
Heterocyclic Organic Compound
Synonyms
2-(4-Isobutylphenyl)propionic Acid
IUPAC Name
2-[4-(2-Methylpropyl)phenyl]propanoic acid
Molecular Formula
C13H18O2
Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChI Key
HEFNNWSXXWATRW-UHFFFAOYSA-N
Boiling Point
157 °C/ 4 mmHg
Solubility
Insoluble in water
Appearance
White to off-white crystalline powder
Hazard Statements
Xn,N,T,F
Monoisotopic Mass
206.130679813
Safety Description
36-61-36/37-45-16-7
Supplemental Hazard Statements
H315-H319-H335-H302-H225-H301+H311+H331-H370
Symbol
GHS07,GHS02,GHS06,GHS08
Topological Polar Surface Area
37.3 Ų