40228-90-8

Name 7-PHENYLHEPTANOIC ACID
CAS 40228-90-8
Molecular Formula C13H18O2
MDL Number MFCD00037801
Molecular Weight 206.28
MOL File 40228-90-8.mol
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Chemical Properties

Melting point  20°C
Boiling point  147-150°C 0,4mm
density  1.009
refractive index  1.5070
Fp  147-150°C/0.4mm
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 4.77±0.10(Predicted)
Water Solubility  Insoluble in water.
BRN  1957081
InChI 1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
InChIKey ZVSXKFNTWOIGJI-UHFFFAOYSA-N
SMILES OC(=O)CCCCCCc1ccccc1
CAS DataBase Reference 40228-90-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements 
R36/38:Irritating to eyes 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  WGK 3
Hazard Note  Irritant
HS Code  2916399090
Storage Class 11 - Combustible Solids

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