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Isotretinoin

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Isotretinoin / CAS : 4759-48-2

Appearance Yellow-orange to orange Crystalline Powder UN 0.0
HS 29362100 DG Class 0.0
Synonyms 13-Cis-Retinoic Acid; 13-Cis-Vitamin A Acid; 3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2-Cis-4-Trans-6-Trans-8-Trans-Nonatetraenoic Acid; Isoretinoin; (2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,4,6,8-Nonatetraenoic Acid
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Properties

Summary

Formula
C20H28O2
Molecular Mass
300.43500
Exact Mass
300.20900
PSA
37.30000
Logp
5.60260
IUPAC
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
172-175 °C
Density
1.011 g/cm3
Boiling Point
462.8ºC
Flash Point
350.6ºC
Appearance
Yellow-orange to orange Crystalline Powder
Acidity and Basicity
acidness

Export information

HS Code
29362100
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
Risk Code
R61-36/37/38-20/21/22
Safety Label
T

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