Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: alpha-Vetivone
RN: 15764-04-2
UNII: WA62V77MMV
InChIKey: NIIPDXITZPFFTE-ABAIWWIYSA-N

Molecular Formula

  • C15-H22-O

Molecular Weight

  • 218.3378
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • alpha-Vetivone

Synonyms

  • EINECS 239-855-1
  • Isonootkaton
  • Isonootkatone
  • UNII-WA62V77MMV

Systematic Names

  • (4R-cis)-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethylidene)naphthalen-2(3H)-one
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R,4aS)-

Registry Numbers

CAS Registry Number

  • 15764-04-2

FDA UNII

  • WA62V77MMV

Other Registry Numbers

  • 6152-50-7
  • 89-89-4

System Generated Number

  • 0015764042

Structure Descriptors

InChI

1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1

InChIKey

NIIPDXITZPFFTE-ABAIWWIYSA-N

Smiles

O=C1C=C2[C@@]([C@@H](C)C1)(C\C(=C(\C)C)CC2)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51.5 deg C   EXP
log P (octanol-water) 4.930 (none)   EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.