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Substance Name: Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-
RN: 68039-35-0
InChIKey: YBUIAJZFOGJGLJ-UHFFFAOYSA-N

Molecular Formula

  • C17-H26-O

Molecular Weight

  • 246.391
 
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Names and Synonyms

Synonyms

  • 2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-5-acetyl-1H-3a,7-methanoazulene
  • 9-Acetyl-2,6,6,8-tetramethyltricyclo(5.3.1.01,5)undec-8-ene
  • EINECS 268-253-1
  • Vertofix Coeur

Systematic Names

  • 1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one
  • Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-

Registry Numbers

CAS Registry Number

  • 68039-35-0

Other Registry Number

  • 80449-58-7

System Generated Number

  • 0068039350

Structure Descriptors

InChI

1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3

InChIKey

YBUIAJZFOGJGLJ-UHFFFAOYSA-N

Smiles

O=C(C1=C([C@@H]2C[C@@]3([C@@H](CC[C@@H]3C)C2(C)C)C1)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5200mg/kg (5200mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 639, 1978.