Thujone Standard Mixture

SIAL/04314 - analytical standard

Synonym: α,β-Thujone; (−)-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


45-04314-1ML-F	1 mL	$87.00 1/EA		Add To Favorites
45-04314-5ML-F	5 mL	$343.00 1/EA		Add To Favorites

Properties
Safety Info.
Basic Data

application(s)	cleaning products cosmetics flavors and fragrances food and beverages personal care
bp	84-86 °C/17 mmHg (lit.)
composition	α-thujone, 90-98%
	β-thujone, 2-10%
density	0.925 g/mL at 25 °C (lit.)
description	reference substance for GC
format	neat
grade	analytical 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
Quality Level	100
refractive index	n20/D 1.450
	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
technique(s)	gas chromatography (GC): suitable
	HPLC: suitable

Symbol	GHS07
Signal word	Warning
Hazard statements	H302
Precautionary statements	P264 - P270 - P301 + P312 - P501
Hazard Codes	Xn
Risk Statements	22
WGK Germany	WGK 3
Flash Point(F)	152.6 °F - closed cup
Flash Point(C)	67 °C - closed cup

bp	84-86 °C/17 mmHg (lit.)
Density	0.925 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.450; n20/D 1.455 (lit.)
Storage Temp.	2-8°C
UNSPSC	85151701

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