ChemicalBook--->CAS DataBase List--->504-40-5

504-40-5

504-40-5 Structure

504-40-5 Structure
IdentificationBack Directory
[Name]

1,3-DISTEARIN
[CAS]

504-40-5
[Synonyms]

NSC 404229
1,3-DISTEARIN
DISTEARIN 1-3 ISOMER
1,3-distearin(c18:0)
1,3-glyceryl stearate
1,3-Distearoylglycerin
Glycerin 1,3-Distearate
glyceryl 1,3-distearate
1,3-DISTEAROYL-GLYCEROL
1,3-Di-O-stearoylglycerol
sn-1,3-Distearoylglycerol
1,3-DIOCTADECANOYLGLYCEROL
Glycerol 1,3-dioctadecanoate
Stearic Acid Diglycerin Ester
1,2,3-propanetriol1,3-distearate
1,3-bis-octadecanoyloxy-propan-2-ol
2-hydroxypropane-1,3-diyl distearate
Bis(octadecanoic acid) 2-hydroxy-1,3-propanediyl
Bis(octadecanoic acid)2-hydroxytrimethylene ester
Octadecanoic acid, 2-hydroxy-1,3-propanediyl ester
Bis(octadecanoic acid)2-hydroxy-1,3-propanediyl ester
1,3-Dioctadecanoylglycerol, 1,3-Distearin, 1,3-Distearoylglycerol
[EINECS(EC#)]

207-992-6
[Molecular Formula]

C39H76O5
[MDL Number]

MFCD00053741
[MOL File]

504-40-5.mol
[Molecular Weight]

625.02
Chemical PropertiesBack Directory
[Melting point ]

78.5-79 °C(Solv: ethyl ether (60-29-7))
[Boiling point ]

669.6±22.0 °C(Predicted)
[density ]

0.923±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

12.63±0.20(Predicted)
[color ]

White to Off-White
[biological source]

synthetic (organic)
[BRN ]

1810306
[InChI]

1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
[InChIKey]

IZHVBANLECCAGF-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Glyceryl derivative.
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

1
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DISTEARIN(504-40-5)MS
1,3-DISTEARIN(504-40-5)IR1
1,3-DISTEARIN(504-40-5)IR2
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