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Substance Name: Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
RN: 1985-84-8
InChIKey: LMMDJMWIHPEQSJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C22-H34-O6

Molecular Weight

  • 394.505
 
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Names and Synonyms

Synonyms

  • Bis(3,4-epoxy-6-methylcyclohexylmethyl)adipate
  • Di(3,4-epoxy-6-methylcyclohexylmethyl)adipate
  • EINECS 217-857-3
  • EP-289
  • Hexanedioic acid, bis(4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl ester

Systematic Names

  • Adipic acid, bis(3,4-epoxy-6-methylcyclohexylmethyl) ester
  • Bis((3,4-epoxy-6-methylcyclohexyl)methyl) adipate
  • Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
  • Hexanedioic acid, bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester

Registry Numbers

CAS Registry Number

  • 1985-84-8

Other Registry Number

  • 77865-78-2

System Generated Number

  • 0001985848

Structure Descriptors

InChI

1S/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3

InChIKey

LMMDJMWIHPEQSJ-UHFFFAOYSA-N

Smiles

O1[C@@H]2[C@@H]1C[C@@H](C)[C@@H](C2)COC(CCCCC(OC[C@@H]1C[C@@H]2[C@@H](C[C@@H]1C)O2)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 10mL/kg (10mL/kg)   Union Carbide Data Sheet. Vol. 9/23/1970,
rat LD50 oral 4290mg/kg (4290mg/kg)   American Industrial Hygiene Association Journal. Vol. 24, Pg. 305, 1963.