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Basic Information
CAS No.: 139-43-5
Name: 1,2,3-propanetriyl tris[12-(acetoxy)octadecanoate]
Molecular Structure:
Molecular Structure of 139-43-5 (1,2,3-propanetriyl tris[12-(acetoxy)octadecanoate])
Formula: C63H116 O12
Molecular Weight: 1065.58794
Synonyms: Octadecanoicacid, 12-(acetyloxy)-, 1,2,3-propanetriyl ester (9CI); Octadecanoic acid, 12-hydroxy-,triester with glycerol, triacetate (8CI)
Density: 0.976g/cm3
Boiling Point: 899.1°Cat760mmHg
Flash Point: 322.4°C
Safety: When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 157.80000
LogP: 17.39390
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    1,2,3-PROPANETRIYL TRIS[12-(ACETOXY)OCTADECANOATE]CASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Product Name: 1,2,3-Propanetriyl tris(12-(acetoxy)octadecanoate) (CAS NO.139-43-5)


Molecular Formula: C63H116O12
Molecular Weight: 1065.58794g/mol
Mol File: 139-43-5.mol
EINECS: 205-363-0
Boiling point: 899.1 °C at 760 mmHg
Flash Point: 322.4 °C
Density: 0.976 g/cm3
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 130.74 kJ/mol
Vapour Pressure: 4.6E-33 mmHg at 25°C
XLogP3-AA: 21.2
H-Bond Donor: 0
H-Bond Acceptor: 12
Structure Descriptors of 1,2,3-Propanetriyl tris(12-(acetoxy)octadecanoate) (CAS NO.139-43-5):
  IUPAC Name: 1,3-bis(12-acetyloxyoctadecanoyloxy)propan-2-yl12-acetyloxyoctadecanoate
  Canonical SMILES: CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C)OC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C)OC(=O)C
  InChI: InChI=1S/C63H116O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h57-60H,7-53H2,1-6H3 
  InChIKey: FNOXLRARSOMOQK-UHFFFAOYSA-N

Safety Profile

When heated to decomposition it emits acrid smoke and irritating fumes.