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Substance Name: Octahydrocoumarin
RN: 4430-31-3
UNII: H6VNF31DVW
InChIKey: MSFLYJIWLHSQLG-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H14-O2

Molecular Weight

  • 154.208
 
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Names and Synonyms

Name of Substance

  • Octahydrocoumarin

Synonyms

  • 2H-1-Benzopyran-2-one, octahydro-
  • AI3-28142
  • Bicyclononalactone
  • Coumarin, octahydro-
  • Cyclohexyl lactone
  • Cyclohexyllactone
  • EINECS 224-623-4
  • FEMA No. 3791
  • Octahydro-1-benzopyran-2-one
  • Octahydro-2H-1-benzopyran-2-one
  • Octahydrocoumarin
  • UNII-H6VNF31DVW

Systematic Names

  • 2H-1-Benzopyran-2-one, octahydro-
  • Coumarin, octahydro-
  • Octahydro-2H-1-benzopyran-2-one

Superlist Name

  • Octahydrocoumarin

Registry Numbers

CAS Registry Number

  • 4430-31-3

FDA UNII

  • H6VNF31DVW

System Generated Number

  • 0004430313

Structure Descriptors

InChI

1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2

InChIKey

MSFLYJIWLHSQLG-UHFFFAOYSA-N

Smiles

O1[C@@H]2[C@@H](CCC1=O)CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3500mg/kg (3500mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 781, 1982.
rat LD50 oral 3900mg/kg (3900mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 781, 1982.