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Calcidiol

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Calcidiol / CAS : 19356-17-3

Appearance White to off-white crystalline solid UN 2811
HS 29362900 DG Class 6.1
Synonyms Calcifediol,(εR,1R,3As,4E,7Ar)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-Methylenecyclohexylidene]Ethylidene]Octahydro-α,α,ε,7A-Tetramethyl-1H-Indene-1-Pentanol; 25-Hydroxyvitamin D3; Calcifediol; 25-Hydroxycholecalciferol; Calcidiol,Didrogyl,Hidroferol; Vitamin D3 25 Calcifediol; Calcifediol Anhydrous
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Properties

Summary

Formula
C27H44O2
Molecular Mass
400.63700
Exact Mass
400.33400
PSA
40.46000
Logp
6.73390
IUPAC
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Vitamins And Minerals Medicines

Chemical and Physical Properties

Melting Point
74-76ºC
Density
1.01 g/cm3
Boiling Point
529.2ºC
Flash Point
221.4ºC
Appearance
White to off-white crystalline solid
Acidity and Basicity
neutral

Export information

HS Code
29362900
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R28-48/25-26-24/25-11
Safety Label
T+,F

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