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C9653 Sigma-Aldrich

(−)-trans-Caryophyllene

Synonym: β-Caryophyllene, trans-(1R,9S)-8-Methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene

  • CAS Number 87-44-5

  • Empirical Formula (Hill Notation) C15H24

  • Molecular Weight 204.35

  •  Beilstein/REAXYS Number 2044564

  •  EC Number 201-746-1

  •  MDL number MFCD00075925

  •  PubChem Substance ID 24893184

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Properties

bp   262-264 °C (lit.)
density   0.902 g/mL at 20 °C (lit.)
SMILES string   [H][C@@]12CC\C(C)=C\CCC(=C)[C@H]1CC2(C)C
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
InChI key   NPNUFJAVOOONJE-GFUGXAQUSA-N
Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
1
RTECS 
DT8400000
Flash Point(F) 
204.8 °F
Flash Point(C) 
96 °C
Protocols & Articles
Peer-Reviewed Papers
15

References

Related Products

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Description

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22075 (−)-trans-Caryophyllene, ≥98.0% (sum of enantiomers, GC)

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