85-55-2

Name 2-(4-Methylbenzoyl)benzoic acid
CAS 85-55-2
EINECS(EC#) 201-614-3
Molecular Formula C15H12O3
MDL Number MFCD00020287
Molecular Weight 240.25
MOL File 85-55-2.mol
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Chemical Properties

Melting point  137-139 °C(lit.)
Boiling point  342.97°C (rough estimate)
density  1.1783 (rough estimate)
refractive index  1.5570 (estimate)
storage temp.  Store below +30°C.
solubility  very soluble in Benzene,Ether,Acetone,Alcohol
form  powder to crystal
pka 3.33±0.36(Predicted)
color  White to Almost white
Merck  14,9539
BRN  2111078
InChI InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey ICQOWIXIHDDXDI-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(C)C=C1
CAS DataBase Reference 85-55-2(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2-(4-methylbenzoyl)-(85-55-2)
EPA Substance Registry System 85-55-2(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
TSCA  Yes
HazardClass  IRRITANT
HS Code  2918300090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

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