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501-52-0

Name 3-Phenylpropionic acid
CAS 501-52-0
EINECS(EC#) 207-924-5
Molecular Formula C9H10O2
MDL Number MFCD00002771
Molecular Weight 150.17
MOL File 501-52-0.mol

Chemical Properties

Appearance white to off-white crystalline mass, powder or crystals and/or chunk
Melting point  45-48 °C (lit.)
Boiling point  280 °C (lit.)
density  1.071 g/mL at 25 °C(lit.)
vapor pressure  0.356Pa at 25℃
FEMA  2889
refractive index  1.5408 (estimate)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  ethanol: soluble50mg/mL, clear, colorless to faintly yellow
form  Liquid
pka 4.66(at 25℃)
color  Clear yellow to yellow-green
Specific Gravity 1.071
Odor at 1.00 % in dipropylene glycol. sweet fatty rose musk cinnamon
Odor Type floral
Water Solubility  Soluble in water
Detection Methods HPLC,NMR
JECFA Number 646
Merck  14,4784
BRN  907515
InChIKey XMIIGOLPHOKFCH-UHFFFAOYSA-N
LogP 1.153 at 25℃
CAS DataBase Reference 501-52-0(CAS DataBase Reference)
NIST Chemistry Reference 3-Phenylpropanoic acid(501-52-0)
EPA Substance Registry System 501-52-0(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  DA8600000
TSCA  Yes
HS Code  29163900

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