ChemicalBook--->CAS DataBase List--->1076-99-9

1076-99-9

1076-99-9 Structure

1076-99-9 Structure
IdentificationBack Directory
[Name]

4-ALLYL-BENZOIC ACID
[CAS]

1076-99-9
[Synonyms]

4-ALLYL-BENZOIC ACID
4-prop-2-enylbenzoic acid
4-(2-PROPENYL)BENZOIC ACID
4-(2-Propen-1-yl)benzoic acid
Benzoic acid, 4-(2-propen-1-yl)-
[Molecular Formula]

C10H10O2
[MDL Number]

MFCD02259925
[MOL File]

1076-99-9.mol
[Molecular Weight]

162.19
Chemical PropertiesBack Directory
[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 DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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