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All-Trans-Acitretin

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All-Trans-Acitretin / CAS : 55079-83-9

Appearance Light yellow to yellow powder UN 3077
HS 29189900 DG Class 0
Synonyms Retinoidetretin; Acitretin; Acritretin; All-Trans-Etretin; Acetretin; Neotigason; Ro10-1670; Soriatane; Etretin; Acitreti; (All-E)-9-(4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethyl-2,4,6,8-Nonatetraen; 9-(4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethyl-2,4,6,8-Nonatetraenoic Acid; (All-E)-9-(4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethyl-2,4,6,8-Nonatetraenoic Acid; Neotigason, Soriatane
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Properties

Summary

Formula
C21H26O3
Molecular Mass
326.42900
Exact Mass
326.18800
PSA
46.53000
Logp
5.16700
IUPAC
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILES
CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC

Attribute classification

Matter Classification
organic
Category
Auxiliary > Other Auxiliary Agent
API & Intermediate > Specialty Drugs

Chemical and Physical Properties

Melting Point
228-230ºC
Density
1.051 g/cm3
Boiling Point
521.3ºC at 760 mmHg
Flash Point
180.3ºC
Appearance
Light yellow to yellow powder

Export information

HS Code
29189900
Export Rebate
13%
UN No.
3077
DG-Class
0
Risk Code
R36/38; R61; R50/53
Safety Label
T

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