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NOOTKATONE |
| Synonyms. Nootkatone; 4,4a,5,6,7,8-Hexahydro-6-isopropenyl-4,4a-dimethyl-2(3H)-naphthalenone; 4a,5-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene; 4beta,5alpha-Eremophila-1(10),11-dien-2-one; 4beta,5alpha-Eremorphila-1(10)11-dien-2-one; 5,6-Dimethyl-8-isopropenylbicyclo(4.4.0)dec-1-en-3-one; (4R-(4alpha,4aalpha,6beta))-4,4a,5,6,7,8- Hexahydro-4,4a-dimethyl-6- (1-methylvinyl)naphthalen-2(3H)-one; |
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| PRODUCT IDENTIFICATION | |
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CAS RN |
4674-50-4 |
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EINECS RN |
225-124-4 |
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FORMULA |
C15H22O |
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MOLE WEIGHT |
218.33 |
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H.S CODE |
2914.29.5000 |
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SMILES |
C=12[C@@](C[C@@H](C(C)=C)CC2)([C@@H](CC(C1)=O)C)C |
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CLASSIFICATION |
Flavor, Sesquiterpene |
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EXTRA NOTES |
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| PHYSICAL AND CHEMICAL PROPERTIES | |
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PHYSICAL STATE. |
yellow semi-solid |
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MELTING POINT |
35 ~ 39 C |
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BOILING POINT |
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DENSITY |
0.968 |
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SOLUBILITY IN WATER |
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| SOLVENT SOLUBILITY |
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VAPOR DENSITY |
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log P(octanol-water) |
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VAPOR PRESSURE |
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AUTOIGNITION TEMP |
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| pK |
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REFRACTIVE INDEX |
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FLASH POINT |
100 C |
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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 - Nootkatone Wikipedia Linking - Nootkatone Google Scholar Search - Nootkatone U.S. National Library of Medicine - Nootkatone PubChem Compound Summary - Nootkatone KEGG (Kyoto Encyclopedia of Genes and Genomes) - Nootkatone ChEMBL (http://www.ebi.ac.uk/) - Nootkatone NCBI (http://www.ncbi.nlm.nih.gov/) - Nootkatone EPA - Substance Registry Services - Nootkatone |
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| SALES SPECIFICATION | |
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APPEARANCE |
yellow semi-solid |
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ASSAY |
98% min |
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MELTING POINT |
35 ~ 39 C |
| OPTICAL ROTATION |
+179° ~ +181° (c=1, EtOH) |
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| TRANSPORT & REGULATORY INFORMATION | |
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UN NO. |
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| HAZARD CLASS |
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| PACKING GROUP | |
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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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Preserve in light-resistant and well-closed containers |
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