PHL82669

α,β-Thujone

phyproof^® Reference Substance

• Synonym(s): (−)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
• Empirical Formula (Hill Notation): C₁₀H₁₆O
• CAS Number: 76231-76-0
• Molecular Weight: 152.23
• MDL number: MFCD00135597
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• assay: ≥98.0% (GC)
• manufacturer/tradename: PhytoLab
• refractive index: n20/D 1.455 (lit.)
• bp: 84-86 °C/17 mmHg (lit.)
• density: 0.925 g/mL at 25 °C (lit.)
• application(s): food and beverages
• format: neat
• storage temp.: 2-8°C
• SMILES string: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2.CC(C)[C@@]34C[C@@H]3[C@H](C)C(=O)C4
• InChI: 1S/2C10H16O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10/h2*6-8H,4-5H2,1-3H3/t7-,8+,10-;7-,8-,10+/m01/s1
• InChI key: AKPBIVZAUPVDMO-APEKEWONSA-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: achillea salvia

Legal Information

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

Safety Information

• Pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 + P330 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: No data available
• flash_point_c: No data available