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Substance Name: Hexanedioic acid, 1,6-bis((6-methyl-3-cyclohexen-1-yl)methyl) ester
RN: 68555-34-0
InChIKey: FVBFUZKTISMNMG-UHFFFAOYSA-N

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.507
 
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Names and Synonyms

Synonyms

  • Adipic acid, 6-methyl-3-cyclohexenyl-methanol diester
  • Adipic acid, diester with 6-methyl-3-cyclohexene-1-methanol
  • Bis(6-methyl-3-cyclohexenemethyl) adipate
  • EINECS 271-425-9

Systematic Names

  • Bis((6-methylcyclohex-3-enyl)methyl) adipate
  • Hexanedioic acid, 1,6-bis((6-methyl-3-cyclohexen-1-yl)methyl) ester
  • Hexanedioic acid, bis((6-methyl-3-cyclohexen-1-yl)methyl) ester

Registry Numbers

CAS Registry Number

  • 68555-34-0

System Generated Number

  • 0068555340

Structure Descriptors

InChI

1S/C22H34O4/c1-17-9-3-5-11-19(17)15-25-21(23)13-7-8-14-22(24)26-16-20-12-6-4-10-18(20)2/h3-6,17-20H,7-16H2,1-2H3

InChIKey

FVBFUZKTISMNMG-UHFFFAOYSA-N

Smiles

C([C@@H]1[C@@H](CC=CC1)C)OC(CCCCC(OC[C@@H]1[C@@H](CC=CC1)C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 16gm/kg (16000mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 8570uL/kg (8.57mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.