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SINIGRIN |
| Synonyms. Sinigrin; Potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate; 2-Propenyl glucosinolate; Allyl glucosinolate; Glucoside of allyl isothiocyanate; Potassium ((E)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)sulfanylbut-3-enylideneamino) sulfate; |
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| PRODUCT IDENTIFICATION | |
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CAS RN |
3952-98-5 |
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EINECS RN |
223-545-8 |
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FORMULA |
C10H16KNO9S2 |
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MOLE WEIGHT |
397.46 |
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H.S CODE |
2938.90.0000 |
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SMILES |
S(O\N=C(\S[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)CC=C) ([O-])(=O)=O.[K+] |
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CLASSIFICATION |
Glucosinolate |
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EXTRA NOTES |
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| PHYSICAL AND CHEMICAL PROPERTIES | |
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PHYSICAL STATE |
white to off-white crystalline powder |
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MELTING POINT |
193 ! 195 C (Anhydrous) |
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BOILING POINT |
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DENSITY |
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SOLUBILITY IN WATER |
Freely soluble |
| SOLVENT SOLUBILITY |
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VAPOR DENSITY |
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log P(octanol-water) |
-4.185 |
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VAPOR PRESSURE |
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AUTOIGNITION TEMP |
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REFRACTIVE INDEX |
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FLASH POINT |
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| STABILITY AND REACTIVITY | |
| STABILITY | Stable under normal conditions. |
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INCOMPATIBLE MATERIALS |
Strong oxidizing agents. |
| POLYMERIZATION |
Has not been reported |
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NFPA RATINGS |
Health: 0, Flammability: 0, Reactivity: 0 |
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| EXTERNAL LINKS & GENERAL DESCRIPTION |
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USA.gov - Sinigrin Wikipedia Linking - Sinigrin Google Scholar Search - Sinigrin U.S. National Library of Medicine - Sinigrin PubChem Compound Summary - Sinigrin KEGG (Kyoto Encyclopedia of Genes and Genomes) - Sinigrin ChEBI (http://www.ebi.ac.uk/chebi/) - Sinigrin NCBI (http://www.ncbi.nlm.nih.gov/) - Sinigrin Material Safety Data Sheet - Sinigrin Human Metabolome Database - Sinigrin Hazardous Substances Data Bank - Sinigrin EPA - Substance Registry Services - Sinigrin |
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| SALES SPECIFICATION | |
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APPEARANCE |
white to off-white crystalline powder |
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ASSAY |
98% min |
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MELTING POINT |
127 ~ 128 C |
| OPTICAL ROTATION |
-16° ~ -17° |
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LOSS ON DRYING |
5% max |
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HEAVY METALS |
10ppm max |
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| TRANSPORT & REGULATORY INFORMATION | |
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UN NO. |
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| HAZARD CLASS |
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| SAFETY INFORMATION | |
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HAZARD OVERVIEW |
GHS (Globally Harmonised System) Classification: Not a dangerous substance. |
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| PACKING |
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Preserved in light-resistant and well-closed bottles |
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