A 3-MCPD ester
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rac-1,2-bis-Palmitoyl-3-chloropropanediol

Item No. 9003677

Technical Information
Formal Name
hexadecanoic acid, 1,1′-[1-(chloromethyl)-1,2-ethanediyl] ester
CAS Number
51930-97-3
Synonyms
  • rac-3-Chloro-1,2-propandiol Dipalmitate
  • PP-3-MCPD
Molecular Formula
C35H67ClO4
Formula Weight
Purity
≥95%
A solid
Chloroform: slightly solubleEthyl Acetate: slightly soluble
SMILES
O=C(CCCCCCCCCCCCCCC)OC(CCl)COC(CCCCCCCCCCCCCCC)=O
InChi Code
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
InChi Key
MQWXVGSHNINWHB-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Product Description

    rac-1,2-bis-Palmitoyl-3-chloropropanediol is a 3-monochloropropane-1,2-diol (3-MCPD) ester.1 It has been found as a contaminant in edible olive oils, with the lowest and highest concentrations in extra virgin and olive pomace oils, respectively. rac-1,2-bis-Palmitoyl-3-chloropropanediol has also been found in cottonseed and palm oils, as well as in shortening.2 It induces renal tubular necrosis and a decrease in spermatids, but no gross pathological changes, in mice.3

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Hung, W.-C., Peng, G.-J., Tsai, W.-J., et alIdentification of 3-MCPD esters to verify the adulteration of extra virgin olive oil. Food Addit. Contam. Part B Surveill. 10(3), 233-239 (2017).

    2. MacMahon, S., Begley, T.H., and Diachenko, G.W. Occurrence of 3-MCPD and glycidyl esters in edible oils in the United States. Food Addit. Contam. Part A. Chem. Anal. Control Expo. Risk Assess. 30(12), 2081-2092 (2013).

    3. Liu, M., Gao, B.-Y., Qin, F., et alAcute oral toxicity of 3-MCPD mono- and di-palmitic esters in Swiss mice and their cytotoxicity in NRK-52E rat kidney cells. Food Chem. Toxicol. 50(10), 3785-3791 (2012).