75541

(−)-trans-Caryophyllene

analytical standard

• Synonym(s): β-Caryophyllene, trans-(1R,9S)-8-Methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
• Empirical Formula (Hill Notation): C₁₅H₂₄
• CAS Number: 87-44-5
• Molecular Weight: 204.35
• Beilstein/REAXYS Number: 2044564
• EC Number: 201-746-1
• MDL number: MFCD00075925
• UNSPSC Code: 85151701
• PubChem Substance ID: 329766500
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥98.0% (sum of enantiomers, GC)
• optical activity: [α]20/D -10±1°, neat
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• bp: 262-264 °C (lit.)
• density: 0.902 g/mL at 20 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• storage temp.: 2-8°C
• 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

Description

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

This compound is commonly found in plants of the genus: cinnamomum melissa

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H304,H317
• pcodes: P261 - P272 - P280 - P301 + P310 - P302 + P352 - P331
• Hazard Classifications: Asp. Tox. 1 - Skin Sens. 1B
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 221.9 °F - closed cup
• flash_point_c: 105.5 °C - closed cup