Bis[2-hydroxy-3-[(1-oxooctadec-9-enyl)oxy]propyl]adipate

CAS

94313-92-5

Catalog Number

ACM94313925

Category

Other Products

Molecular Weight

823.190440 [g/mol]

Molecular Formula

C₄₈H₈₆O₁₀

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 304-991-3, CID6366537, Bis(2-hydroxy-3-((1-oxooctadec-9-enyl)oxy)propyl) adipate, 94313-92-5

IUPAC Name

bis[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] hexanedioate

Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O)O

InChI Key

ARLXGBZNBMODOR-XPWSMXQVSA-N

Boiling Point

827.8ºC at 760mmHg

Flash Point

222.2ºC

Density

1.006g/cm³

EC Number

304-991-3

Exact Mass

822.62200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C48H86O10.

What are the synonyms of the compound?

The synonyms of the compound are Bis(2-hydroxy-3-((1-oxooctadec-9-enyl)oxy)propyl) adipate and Bis[2-hydroxy-3-[(1-oxooctadec-9-enyl)oxy]propyl]adipate.

What is the molecular weight of the compound?

The molecular weight of the compound is 823.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is bis[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] hexanedioate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C48H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-45(51)55-39-43(49)41-57-47(53)37-33-34-38-48(54)58-42-44(50)40-56-46(52)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44,49-50H,3-16,21-42H2,1-2H3/b19-17+,20-18+.

What is the InChIKey of the compound?

The InChIKey of the compound is ARLXGBZNBMODOR-XPWSMXQVSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O)O.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC.

What is the CAS number of the compound?

The CAS number of the compound is 94313-92-5.

What is the EC number of the compound?

The EC number of the compound is 304-991-3.

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