2270-20-4

Name 5-Phenylvaleric acid
CAS 2270-20-4
EINECS(EC#) 218-872-8
Molecular Formula C11H14O2
MDL Number MFCD00004416
Molecular Weight 178.23
MOL File 2270-20-4.mol
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Chemical Properties

Appearance white to off-white crystals or crystalline powder
Melting point  58-60 °C (lit.)
Boiling point  177-178 °C/13 mmHg (lit.)
density  1.0292 (rough estimate)
refractive index  1.4920 (estimate)
Fp  176-178°C/12mm
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka pKa 4.59 ± 0.02(H2O,t =25±0.5,I=0.015(KCl)) (Uncertain)
color  White to Almost white
Water Solubility  1.777g/L(30 ºC)
BRN  2049062
InChI InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKey BYHDDXPKOZIZRV-UHFFFAOYSA-N
SMILES C1(CCCCC(O)=O)=CC=CC=C1
CAS DataBase Reference 2270-20-4(CAS DataBase Reference)
NIST Chemistry Reference 5-Phenylvaleric acid(2270-20-4)

Safety Data

Hazard Codes  Xi
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  YV7816000
Hazard Note  Irritant
HS Code  29163900
Storage Class 11 - Combustible Solids

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Hazard Information

Material Safety Data Sheet(MSDS)

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