ALPHA+BETA-THUJONE Chemical Properties

Boiling point:

84-86 °C/17 mmHg (lit.)

Density 

0.925 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.455(lit.)

Flash point:

64 °C

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)

form 

Oil

color 

Colourless

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

InChIKey

AKPBIVZAUPVDMO-APEKEWONSA-N

SMILES

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

Safety Information

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/PG 3

WGK Germany 

3

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 4 Oral

Hazardous Substances Data

76231-76-0(Hazardous Substances Data)

ALPHA+BETA-THUJONE Usage And Synthesis

Uses

α,β-Thujone is a component of the essential oil of Pistacia vera L. It is also used as as a reactant in organic synthesis.

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

ALPHA+BETA-THUJONE(76231-76-0)Related Product Information

• ALPHA-(-)-THUJONE
• thujane
• 1,1-DIETHYLCYCLOPROPANE
• 2,4,4-TRIMETHYLCYCLOPENTANONE
• 1-(1-METHYLCYCLOPROPYL)ACETONE
• CYCLOPROPYLACETALDEHYDE
• ALPHA+BETA-THUJONE
• 1-CYCLOPROPYL-PROPAN-2-ONE