533-87-9

Name ALEURITIC ACID
CAS 533-87-9
EINECS(EC#) 232-692-7
Molecular Formula C16H32O5
MDL Number MFCD00135596
Molecular Weight 304.42
MOL File 533-87-9.mol
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Chemical Properties

Appearance white to beige crystalline powder
Melting point  100-101 °C(lit.)
Boiling point  365.24°C (rough estimate)
density  1.085
refractive index  1.6200 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly, Heated), DMSO (Slightly), Ethyl Acetate (Slightly, Heated）
form  Crystalline Powder
pka 4.78±0.10(Predicted)
color  White to beige
Water Solubility  Soluble in water, alcohol, acetic acid and acetone.
Merck  14,231
BRN  1727724
Stability: Hygroscopic
Major Application pharmaceutical small molecule
InChI 1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1
InChIKey MEHUJCGAYMDLEL-CABCVRRESA-N
SMILES OCCCCCC[C@H](O)[C@H](O)CCCCCCCC(O)=O
LogP 2.830
CAS DataBase Reference 533-87-9(CAS DataBase Reference)
EPA Substance Registry System .alpha.-Aleuritic acid (533-87-9)
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Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  ML9850000
TSCA  Yes
HS Code  29181998
Storage Class 11 - Combustible Solids

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