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Substance Name: Humulene
RN: 6753-98-6
UNII: 54W56MD2WD
InChIKey: FAMPSKZZVDUYOS-HRGUGZIWSA-N

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.355
 
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Names and Synonyms

Name of Substance

  • Humulene

Synonyms

  • 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)-
  • 3,7,10-Humulatriene
  • 4-05-00-01171 (Beilstein Handbook Reference)
  • alpha-Caryophyllene
  • BRN 3240075
  • EINECS 229-816-7
  • Humulene
  • UNII-54W56MD2WD

Systematic Names

  • 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
  • 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
  • Humulene

Registry Numbers

CAS Registry Number

  • 6753-98-6

FDA UNII

  • 54W56MD2WD

Other Registry Numbers

  • 19132-75-3
  • 65907-25-7

System Generated Number

  • 0006753986

Structure Descriptors

InChI

1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

InChIKey

FAMPSKZZVDUYOS-HRGUGZIWSA-N

Smiles

C1(CC=C(CCC=C(CC=C1)C)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intratracheal > 48mg/kg (48mg/kg) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI Archives of Toxicology. Vol. 59, Pg. 78, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 6.950 (none)   EST
Atmospheric OH Rate Constant 2.90E-10 cm3/molecule-sec 23 EXP

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