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4036-30-0

Name (S)-(+)-Phenylsuccinic acid
CAS 4036-30-0
EINECS(EC#) 223-719-3
Molecular Formula C10H10O4
MDL Number MFCD00065929
Molecular Weight 194.18
MOL File 4036-30-0.mol
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Chemical Properties

Appearance almost white micro-crystalline powder
Melting point  173-176 °C
alpha  168 º (c=1, acetone)
Boiling point  290.62°C (rough estimate)
density  1.2534 (rough estimate)
refractive index  147.5 ° (C=2, EtOH)
storage temp.  Sealed in dry,Room Temperature
solubility  within almost transparency in Methanol
form  powder to crystal
pka 3.60±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D +171±4°, c = 1% in acetone
BRN  2616723
InChI InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKey LVFFZQQWIZURIO-QMMMGPOBSA-N
SMILES C(O)(=O)[C@H](C1=CC=CC=C1)CC(O)=O
CAS DataBase Reference 4036-30-0(CAS DataBase Reference)

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
HS Code  29171990
Storage Class 13 - Non Combustible Solids

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