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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 14:36, 21 November 2011 (Saving copy of the {{chembox}} taken from revid 443860316 of page Humulene for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 14:36, 21 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 443860316 of page Humulene for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 443860316 of page Humulene with values updated to verified values.
Humulene
Humulene
Humulene
Names
IUPAC name 2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
Other names alpha-Caryophyllene; 3,7,10-Humulatriene
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • 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+Key: FAMPSKZZVDUYOS-HRGUGZIWSA-N
  • InChI=1/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+Key: FAMPSKZZVDUYOS-HRGUGZIWBF
SMILES
  • C\1=C/C(C)(C)C/C=C(/CC/C=C(/C/1)C)C
Properties
Chemical formula C15H24
Molar mass 204.357 g·mol
Appearance Pale yellowish green clear liquid
Density 0.886 g/cm
Boiling point 106-107 °C at 5 mmHg
Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose) >48 mg/kg
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Template:ChEMBL = 251280
  2. Merck Index, 12th Edition, 4789
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