3-MCPD diesters

Description:

Compounds containing a 3-monochloropropane-1,2-diol skeleton that is esterified at the C1 and C3 terminal carbon atoms.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Fatty Acyls ⮕ Fatty acid esters ⮕ Chloropropanol esters ⮕ 3-MCPD diesters

(Rac)-1,2-Bis-palmitol-3-chloropropanediol-d5
Cas Number: 1185057-55-9 Compound CID: 45038378

Formula: C₃₅H₆₂D₅ClO₄ Molecular Weight: 592.39

SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

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rac 1,2-Bis-palmitol-3-chloropropanediol
- ≥95%
Cas Number: 51930-97-3 Compound CID: 171090

Formula: C₃₅H₆₇ClO₄ Molecular Weight: 587.36

IUPAC Name: (3-chloro-2-hexadecanoyloxypropyl) hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCC

InChIKey: MQWXVGSHNINWHB-UHFFFAOYSA-N

InChI: InChI=1S/C35H67ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3

Synonyms: 3-Chloropropane-1,2-diol Dipalmiate | Hexadecanoic Acid 1,1'-[1-Chloromethyl)-1,2-ethanediyl] Ester | PP-3-MCPD | Di-...
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rac-1,2-Distearoyl-3-chloropropanediol
- ≥98%
Cas Number: 72468-92-9 Compound CID: 254746

Formula: C₃₉H₇₅ClO₄ Molecular Weight: 643.46

IUPAC Name: (3-chloro-2-octadecanoyloxypropyl) octadecanoate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCCCC

InChIKey: YLTQZUQMHKFAHD-UHFFFAOYSA-N

InChI: InChI=1S/C39H75ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3show more

Synonyms: 3-chloropropane-1,2-diyl dioctadecanoate | FT-0667716 | DTXSID40291955 | (3-chloro-2-octadecanoyloxypropyl) octadecan...
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