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(+)-Β-Thujone

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(+)-β-Thujone / CAS : 471-15-8

Appearance - UN 2810
HS 29142990 DG Class 6.1
Synonyms (Z)-Thujone; (+)-(1S,4S,5R)-Thujan-3-One; Thujone; (E)-Thujone; Cis-Thujone; Thujone Cis; Thujone Trans; (+)-Isothujon; (+)-Beta-Thujone; D-Isothujone; Trans-Thujone; Beta-Thujone; (+)-3-Thujone
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Properties

Summary

Formula
C20H32O2
Molecular Mass
304.46700
Exact Mass
304.24000
PSA
34.14000
Logp
4.51520
IUPAC
(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILES
C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
170 °C
Density
1.009g/cm3
Boiling Point
200.5ºC
Flash Point
64.4ºC
Acidity and Basicity
neutral

Export information

HS Code
29142990
Export Rebate
13%
UN No.
2810
DG-Class
6.1
Risk Code
R23/24/25-36/37/38-42/43
Safety Label
T

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