1076-99-9

Name 4-ALLYL-BENZOIC ACID
CAS 1076-99-9
Molecular Formula C10H10O2
MDL Number MFCD02259925
Molecular Weight 162.19
MOL File 1076-99-9.mol
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Chemical Properties

Melting point  104-105 °C
Boiling point  286.9±19.0 °C(Predicted)
density  1.108±0.06 g/cm3(Predicted)
form  solid
pka 4.34±0.10(Predicted)
InChI 1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2,(H,11,12)
InChIKey YBCFIVNTXHMQGZ-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(CC=C)cc1

Safety Data

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

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