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Substance Name: 6-Isopropyl-2-decalone
RN: 34131-98-1
UNII: 2F97U2I94O
InChIKey: HEKJOMVJRYMUDB-UHFFFAOYSA-N

Molecular Formula

  • C13-H22-O

Molecular Weight

  • 194.316
 
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Names and Synonyms

Name of Substance

  • 6-Isopropyl-2-decalone

Synonyms

  • 6-Isopropyl-2(1H)-octahydronaphthalenone
  • 6-Isopropyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone
  • 6-Isopropyldecalone
  • Decatone
  • EINECS 251-840-1
  • UNII-2F97U2I94O

Systematic Names

  • 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
  • 3,4,4a,5,6,7,8,8a-Octahydro-6-isopropylnaphthalene-2(1H)-one

Registry Numbers

CAS Registry Number

  • 34131-98-1

FDA UNII

  • 2F97U2I94O

System Generated Number

  • 0034131981

Structure Descriptors

InChI

1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3

InChIKey

HEKJOMVJRYMUDB-UHFFFAOYSA-N

Smiles

O=C1CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C2)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 371, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 371, 1988.