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Substance Name: 1,4-Methanoazulen-2(1H)-one, octahydro-4,8,8,9-tetramethyl-
RN: 14727-47-0
InChIKey: XROGGPRBZBLTOH-WGVDIBCWSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H24-O

Molecular Weight

  • 220.354
 
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Names and Synonyms

Synonyms

  • 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
  • 2,2,7,7-Tetramethyltricyclo(6.2.1.0(sup 1,6))undecan-5-one
  • BRN 3090959
  • EINECS 238-780-1
  • Isolongifolanone

Systematic Names

  • (1alpha,3Abeta,4alpha,8abeta,9S*)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-2(1H)-one
  • 1,4-Methanoazulen-2(1H)-one, octahydro-4,8,8,9-tetramethyl-

Registry Numbers

CAS Registry Number

  • 14727-47-0

System Generated Number

  • 0014727470

Structure Descriptors

InChI

1S/C15H24O/c1-9-12-11(16)8-10-13(12)14(2,3)6-5-7-15(9,10)4/h9-10,12-13H,5-8H2,1-4H3/t9?,10-,12+,13-,15-/m1/s1

InChIKey

XROGGPRBZBLTOH-WGVDIBCWSA-N

Smiles

C1[C@H]2[C@@]3(CCCC(C)(C)[C@H]2[C@@H]([C@@H]3C)C1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 859, 1983.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 859, 1983.