PHL83351

α-Humulene

phyproof^® Reference Substance

• Synonym(s): α-Caryophyllene, trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
• Empirical Formula (Hill Notation): C₁₅H₂₄
• CAS Number: 6753-98-6
• Molecular Weight: 204.35
• Beilstein/REAXYS Number: 3240075
• MDL number: MFCD00042689
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• assay: ≥90.0% (GC)
• form: liquid
• manufacturer/tradename: PhytoLab
• refractive index: n20/D 1.503 (lit.)
• bp: 166-168 °C (lit.)
• density: 0.889 g/mL at 20 °C (lit.)
• storage temp.: −20°C
• SMILES string: C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1
• 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+
• InChI key: FAMPSKZZVDUYOS-HRGUGZIWSA-N

Description

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Other Notes

This compound is commonly found in plants of the genus: angelica salvia

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 194.0 °F - closed cup
• flash_point_c: 90 °C - closed cup