CNICIN

Synonyms. Cnicin; Cnicine; 2,3,3a,4,5,8,9,11a-Octahydro-10-(hydroxymethyl)-6-methyl -3-methylene-2-oxocyclodeca(b)furan- 4-yl 3,4-dihydroxy-2-methylenebutyrate; 6-alpha,8- alpha,15-Trihydroxy-germacra-1(10),4,11(13)-trien-12-oic acid 8-(3,4-dihydroxy-2-methylenebutyrate);

CNICIN

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PRODUCT IDENTIFICATION

CAS RN

24394-09-0

EINECS RN

246-221-8

FORMULA

 C20H26O7

MOLE WEIGHT

 378.42

H.S CODE

 

SMILES

C(C([C@H](CO)O)=C)(=O)O[C@H]1CC(=CCCC(=C[C@H]2OC(C ([C@H] 12)= C)=O)CO)C

CLASSIFICATION

Sesquiterpene lactone

EXTRA NOTES

 

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

white to off-white crystalline powder

MELTING POINT

143 C

BOILING POINT

 

DENSITY

 

SOLUBILITY IN WATER

 

SOLVENT SOLUBILITY

 

VAPOR DENSITY

 

log P(octanol-water)

0.9

VAPOR PRESSURE

 

AUTOIGNITION TEMP

 
pK

 

REFRACTIVE INDEX

 

FLASH POINT

 

 

STABILITY AND REACTIVITY
STABILITY Stable under normal conditions.

INCOMPATIBLE MATERIALS

Strong oxidizing agents.

POLYMERIZATION

Has not been reported

NFPA RATINGS

Health: 1, Flammability: 1, Reactivity: 0

 

EXTERNAL LINKS & GENERAL DESCRIPTION

USA.gov - Cnicin

Wikipedia Linking - Cnicin

Google Scholar Search - Cnicin

U.S. National Library of Medicine - Cnicin

PubChem Compound Summary - Cnicin

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Cnicin

ChEMBL (http://www.ebi.ac.uk) -  Cnicin

NCBI (http://www.ncbi.nlm.nih.gov/) -  Cnicin

 

SALES SPECIFICATION

APPEARANCE

white to off-white crystalline powder

ASSAY

98% min

MELTING POINT

128 ~ 132 C

OPTICAL ROTATION

+905° ~ +10.5° (c=4, water)

LOSS ON DRYING

1% max

HEAVY METALS

10ppm max

 

TRANSPORT & REGULATORY INFORMATION

UN NO.

 

HAZARD CLASS

 

PACKING GROUP  

 

PACKING

Preserved in light-resistant and well-closed bottles