42288-08-4

Name 3-METHYL-3-(4-METHYLPHENYL)BUTANOIC ACID
CAS 42288-08-4
Molecular Formula C12H16O2
MDL Number MFCD03844683
Molecular Weight 192.25
MOL File 42288-08-4.mol
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Chemical Properties

Melting point  75℃
Boiling point  306.5±11.0 °C(Predicted)
density  1.047
form  solid
pka 4.73±0.10(Predicted)
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

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  WGK 3
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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