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Substance Name: Caryophyllene
RN: 87-44-5
UNII: BHW853AU9H
InChIKey: NPNUFJAVOOONJE-FLFDDASRSA-N

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.3546
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Natural Product
  • Peripheral Nervous System Agents
  • Sensory System Agents
  • Skin / Eye Irritant
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Names and Synonyms

Results Name

  • Caryophyllene

Name of Substance

  • Caryophyllene

Synonyms

  • (-)-beta-Caryophyllene
  • (-)-E-Caryophyllene
  • (-)-trans-Caryophyllene
  • (E)-Caryophyllene
  • 2-Methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene
  • 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1R-(1R*,4E,9S))-
  • 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene
  • AI3-36121
  • beta-Caryophyllen
  • beta-Caryophyllene (natural)
  • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R-(1R*,4E,9S*))-
  • Caryophyllene
  • Caryophyllene (VAN)
  • CARYOPHYLLENE, ALPHA + BETA MIXT.
  • CCRIS 8094
  • E-Caryophyllene
  • EINECS 201-746-1
  • FEMA No. 2252
  • L-Caryophyllene
  • NSC 11906
  • trans-beta-Caryophyllene
  • trans-Caryophyllene
  • UNII-BHW853AU9H

Systematic Names

  • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
  • Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-
  • Caryophyllene

Superlist Name

  • beta-Caryophyllene

Registry Numbers

CAS Registry Number

  • 87-44-5

FDA UNII

  • BHW853AU9H

Other Registry Numbers

  • 1233519-47-5
  • 1407-53-0
  • 8007-38-3

System Generated Number

  • 0000087445

Structure Descriptors

InChI

InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1

InChIKey

NPNUFJAVOOONJE-FLFDDASRSA-N

Smiles

C\C\1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1

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) 6.300 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 23 EXP

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