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621-36-3

Name 3-Methylphenylacetic acid
CAS 621-36-3
EINECS(EC#) 210-683-9
Molecular Formula C9H10O2
MDL Number MFCD00004340
Molecular Weight 150.17
MOL File 621-36-3.mol
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Chemical Properties

Appearance colorless to off-white shiny flakes and chunks
Melting point  64-66 °C(lit.)
Boiling point  231.72°C (rough estimate)
density  1.0858 (rough estimate)
refractive index  1.5002 (estimate)
form  Shiny Flakes and Chunks
pka 4.30±0.10(Predicted)
color  Colorless to off-white
Water Solubility  Soluble in water.
BRN  2043549
InChI InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey GJMPSRSMBJLKKB-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=CC(C)=C1
CAS DataBase Reference 621-36-3(CAS DataBase Reference)
NIST Chemistry Reference m-Tolylacetic acid(621-36-3)

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
HS Code  29163900

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