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Substance Name: 1,2-Cyclohexanedicarboxylic acid, 4-methyl-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)
RN: 1079350-89-2
InChIKey: JBVAVHHLRYXPQB-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C33-H50-O12

Molecular Weight

  • 638.746
 
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Names and Synonyms

  • 1,2-Cyclohexanedicarboxylic acid, 4-methyl-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)

Registry Numbers

CAS Registry Number

  • 1079350-89-2

System Generated Number

  • 1079350892

Structure Descriptors

InChI

1S/C33H50O12/c1-5-33(15-43-30(40)23-11-8-18(2)12-24(23)29(38)39,16-44-31(41)25-13-19(3)6-9-21(25)27(34)35)17-45-32(42)26-14-20(4)7-10-22(26)28(36)37/h18-26H,5-17H2,1-4H3,(H,34,35)(H,36,37)(H,38,39)

InChIKey

JBVAVHHLRYXPQB-UHFFFAOYSA-N

Smiles

CCC(COC(=O)C1CCC(C)CC1C(=O)O)(COC(=O)C2CC(C)CCC2C(=O)O)COC(=O)C3CC(C)CCC3C(=O)O