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Substance Name: 9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, reaction products with acetic anhydride and 2-methoxyethanol
RN: 68412-11-3
InChIKey: QDBFLNQRJYOQKK-MKWKMPNHSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C57-H104-O9.C4-H6-O3.C3-H8-O2

Molecular Weight

  • 1111.6222
 
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Names and Synonyms

Synonym

  • Acetylated ethylene glycol monomethyl ether, ricinoleate

Systematic Name

  • 9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, reaction products with acetic anhydride and 2-methoxyethanol

Registry Numbers

CAS Registry Number

  • 68412-11-3

System Generated Number

  • 0068412113

Molecular Formulas

Molecular Formula

  • C57-H104-O9.C4-H6-O3.C3-H8-O2

Molecular Formula Fragments

  • C3-H8-O2
  • C4-H6-O3
  • C57-H104-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C57H104O9.C4H6O3.C3H8O2/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2;1-3(5)7-4(2)6;1-5-3-2-4/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3;1-2H3;4H,2-3H2,1H3/b34-25+,35-26+,36-27+;;

InChIKey

QDBFLNQRJYOQKK-MKWKMPNHSA-N

Smiles

CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(O)CCCCCC)COC(=O)CCCCCCC/C=C/CC(O)CCCCCC.CC(=O)OC(=O)C.COCCO