1501-05-9

Name 4-BENZOYLBUTYRIC ACID
CAS 1501-05-9
EINECS(EC#) 216-113-5
Molecular Formula C11H12O3
MDL Number MFCD00004411
Molecular Weight 192.21
MOL File 1501-05-9.mol
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Chemical Properties

Appearance off-white to light beige crystalline powder
Melting point  126-129 °C(lit.)
Boiling point  380.8±25.0 °C(Predicted)
density  1.164±0.06 g/cm3(Predicted)
form  Crystalline Powder
pka 4.63±0.10(Predicted)
color  Off-white to light beige
Water Solubility  Insoluble in water.
BRN  641947
InChI InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey SHKWSBAVRQZYLE-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1)C(=O)CCCC(=O)O
CAS DataBase Reference 1501-05-9(CAS DataBase Reference)

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 .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29183000

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