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Pentaerythritol distearate (mixture)

CAT: 0931-TYD-00700-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00700-01Size:25 g
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CAS Number
13081-97-5
Bioactivity
Pentaerythritol distearate (mixture) is a blend of ester compounds, primarily used as a thickening, emulsifying, or lubricating agent in numerous cosmetics and personal care products. Additionally, it serves as a plasticizer or stabilizer in the production of plastics and resins. With its unique chemical properties, pentaerythritol distearate (mixture) is a vital component in various industrial processes, including the manufacturing of adhesives, coatings, and sealants.
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC
Molecular Formula
C41H80O6
Molecular Weight
669.0703
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentaerythrityl distearate
CAS Number13081-97-5
PubChem CID61575
IUPAC Name[2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC41H80O6
Molecular Weight669.1
XLogP15.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count40
Heavy Atom Count47
Formal Charge0
Complexity610
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3
InChIKey
FSEJJKIPRNUIFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentaerythrityl distearate
CAS: 13081-97-5
CID: 61575
Formula: C41H80O6
MW: 669.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.1
XLogP315.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count40
Exact Mass668.59549027
Monoisotopic Mass668.59549027
Topological Polar Surface Area93.1 Ų
Heavy Atom Count47
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1038142-01Pentaerythritol distearate (mixture)
sc-488564Pentaerythritol Distearate
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JH265757Hexaglyceryl distearate
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