α,β-Thujone

ALDRICH/89230 - technical, ~70% α-thujone basis, ~10% β-thujone basis

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


45-89230-10ML	10 mL	$125.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

bp	84-86 °C/17 mmHg (lit.)
composition	α-thujone, ~70%
	β-thujone, ~10%
density	0.925 g/mL at 25 °C (lit.)
form	liquid
grade	technical
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
refractive index	n20/D 1.455 (lit.)
	n20/D 1.46
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

Application:	α,β-Thujone can be used as a chiral synthon in the total synthesis of (+)-β-cyperone and several bicyclo[3.n.1] alkanone systems.
Packaging:	10, 50 mL in glass bottle
Preparation Note:	isolated from natural oil of cedar-leaves

Symbol	GHS07
Signal word	Warning
Hazard statements	H302
Precautionary statements	P264 - P270 - P301 + P312 - P501
Hazard Codes	T
Risk Statements	23/24/25-36/37/38-42/43
Safety Statements	23-26-36/37/39-45
RIDADR	UN 2810 6.1 / PGIII
WGK Germany	WGK 3
Flash Point(F)	No data available
Flash Point(C)	No data available

bp	84-86 °C/17 mmHg (lit.)
Density	0.925 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.455 (lit.); n20/D 1.46
Storage Temp.	2-8°C
UNSPSC	12352100

Choose a favorite list for this item:

Catalog Number	Description	Price

		$

Please choose a list :

Continue Shopping

Returns/Order support

Please fill out the form below if you want to request order support from Krackeler Scientific.