PHL89286

(−)-α-Thujone

phyproof^® Reference Substance

• Synonym(s): (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
• Empirical Formula (Hill Notation): C₁₀H₁₆O
• Molecular Weight: 152.23
• Beilstein/REAXYS Number: 4660369
• MDL number: MFCD00001313
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• assay: ≥90.0% (GC)
• manufacturer/tradename: PhytoLab
• density: 0.914 g/mL at 20 °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
• InChI: 1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
• InChI key: USMNOWBWPHYOEA-MRTMQBJTSA-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 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 147.2 °F - closed cup
• flash_point_c: 64 °C - closed cup