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α,β-Thujone

SIAL/PHL82669 - phyproof® Reference Substance

Synonym: (−)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

CAS Number: 76231-76-0
Empirical Formula (Hill Notation): C10H16O
Molecular Weight: 152.23
MDL Number: MFCD00135597
Linear Formula: C10H16O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-PHL82669-100MG 100 mg
 $268.00
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application(s) food and beverages
assay ≥98.0% (GC)
bp 84-86 °C/17 mmHg (lit.)
density 0.925 g/mL at 25 °C (lit.)
format neat
grade primary reference standard
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
manufacturer/tradename PhytoLab
product line phyproof® Reference Substance
refractive index n20/D 1.455 (lit.)
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
storage temp. 2-8°C
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
Legal Information: phyproof is a registered trademark of PhytoLab GmbH & Co. KG
Other Notes: This compound is commonly found in plants of the genus: achillea salvia
Symbol GHS07  GHS07
Signal word Warning
Hazard statements H302
Precautionary statements P264 - P270 - P301 + P312 + P330 - P501
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) No data available
Flash Point(C) No data available
Purity ≥98.0% (GC)
bp 84-86 °C/17 mmHg (lit.)
Density 0.925 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.455 (lit.)
Storage Temp. 2-8°C
UNSPSC 41116107

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