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Substance Name: Isocaryophyllene
RN: 118-65-0
UNII: NRY8I0KNIR
InChIKey: NPNUFJAVOOONJE-FLFDDASRSA-N

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.355
 
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Names and Synonyms

Name of Substance

  • Isocaryophyllene

Synonyms

  • EINECS 204-267-6
  • UNII-NRY8I0KNIR

Systematic Names

  • (1R-(1R*,4Z,9S*))-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
  • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-

Registry Numbers

CAS Registry Number

  • 118-65-0

FDA UNII

  • NRY8I0KNIR

System Generated Number

  • 0000118650

Structure Descriptors

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=1(CC[C@@H]2[C@@H](C(CCC1)=C)CC2(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP

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