3-Methyl-3-(4-methylphenyl)butanoic acid Structure

3-Methyl-3-(4-methylphenyl)butanoic acid

Chemical Properties

Melting point 75℃
Boiling point 306.5±11.0 °C(Predicted)
Density  1.047
pka 4.73±0.10(Predicted)
form  solid
InChI 1S/C12H16O2/c1-9-4-6-10(7-5-9)12(2,3)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKey LXMASNUOAKLCJK-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)C(C)(C)CC(O)=O
UNSPSC Code 12352106
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Hazard Codes  Xn
Risk Statements  22
WGK Germany  WGK 3
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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