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Substance Name: 2,2-Bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl docosanoate
RN: 61682-73-3
UNII: 9MNZ044IRY
InChIKey: SMLXTTLNOGQHHB-UHFFFAOYSA-N

Molecular Formula

  • C93-H180-O8

Molecular Weight

  • 1426.44
 
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Names and Synonyms

Name of Substance

  • 2,2-Bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl docosanoate
  • Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl ester
  • Pentaerythrityl tetrabehenate

Synonyms

  • 4-02-00-01293 (Beilstein Handbook Reference)
  • BRN 1811574
  • EINECS 262-895-6
  • Pentaerythrite tetrabehenate
  • Pentaerythritol tetrabehenate
  • UNII-9MNZ044IRY

Systematic Names

  • 2,2-Bis(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoate
  • Docosanoic acid, 1,1'-(2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl) ester
  • Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl ester
  • Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl-1,3-propanediyl ester

Registry Numbers

CAS Registry Number

  • 61682-73-3

FDA UNII

  • 9MNZ044IRY

Other Registry Numbers

  • 1674364-68-1
  • 331229-61-9
  • 722538-91-2

System Generated Number

  • 0061682733

Structure Descriptors

InChI

1S/C93H180O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3

InChIKey

SMLXTTLNOGQHHB-UHFFFAOYSA-N

Smiles

C(C(COC(CCCCCCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4098706,