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	$262.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

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/c21-6(2)10-4-8(10)7(3)9(11)5-10/h26-8H,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

Symbol	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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