4358-87-6

Name Methyl DL-mandelate
CAS 4358-87-6
EINECS(EC#) 224-434-7
Molecular Formula C9H10O3
MDL Number MFCD00004493
Molecular Weight 166.17
MOL File 4358-87-6.mol
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Chemical Properties

Appearance white to slightly yellow crystals, crystalline
Melting point  54-56 °C (lit.)
Boiling point  135 °C/12 mmHg (lit.)
density  1.1756
refractive index  1.5351 (estimate)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: 0.1 g/mL, clear
form  Solid
pka 12.19±0.20(Predicted)
color  White to Off-White
BRN  2047558
InChI 1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3
InChIKey ITATYELQCJRCCK-UHFFFAOYSA-N
SMILES COC(=O)C(O)c1ccccc1
CAS DataBase Reference 4358-87-6(CAS DataBase Reference)
NIST Chemistry Reference Methyl mandelate(4358-87-6)
EPA Substance Registry System 4358-87-6(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
TSCA  Yes
HS Code  29181980
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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