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THUJONE |
| Synonyms. Thujone; (-)-3-Thujanone; (-)-Isothujone; (1S,4R,5R)-(-)-3-Thujanone; l-Thujone; Thujon; 1-Isopropyl-4-methylbicyclo(3.1.0)hexan-3-one; (-)-alpha-Thujone; (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one; |
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| PRODUCT IDENTIFICATION | |
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CAS RN |
546-80-5 |
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EINECS RN |
208-912-2 |
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FORMULA |
C10H16O |
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MOLE WEIGHT |
152.24 |
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H.S CODE |
2914.29.5000 |
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SMILES |
C1[C@@]2([C@@H]1[C@@H](C)C(C2)=O)C(C)C |
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CLASSIFICATION |
Monoterpene |
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EXTRA NOTES |
GABAA receptor antagonist. |
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| PHYSICAL AND CHEMICAL PROPERTIES | |
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PHYSICAL STATE. |
yellow liquid |
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MELTING POINT |
<25 C |
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BOILING POINT |
203 C |
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DENSITY |
0.92 |
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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) |
2.65 |
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VAPOR PRESSURE |
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AUTOIGNITION TEMP |
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| pK |
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REFRACTIVE INDEX |
1.45 |
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FLASH POINT |
64 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: 2, Flammability: 2, Reactivity: 0 |
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| EXTERNAL LINKS & GENERAL DESCRIPTION |
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USA.gov - Thujone Wikipedia Linking - Thujone Google Scholar Search - Thujone U.S. National Library of Medicine - Thujone PubChem Compound Summary - Thujone KEGG (Kyoto Encyclopedia of Genes and Genomes) - Thujone ChEBI (http://www.ebi.ac.uk/chebi/) - Thujone NCBI (http://www.ncbi.nlm.nih.gov/) - Thujone EPA - Substance Registry Services - Thujone |
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| SALES SPECIFICATION | |
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APPEARANCE |
yellow liquid |
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ASSAY |
98% min |
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MELTING POINT |
<25 C |
| OPTICAL ROTATION |
-18° ~ -20° |
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LOSS ON DRYING |
1% max |
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| TRANSPORT & REGULATORY INFORMATION | |
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UN NO. |
1993 |
| HAZARD CLASS |
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| PACKING GROUP | III |
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| SAFETY INFORMATION | |
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HAZARD OVERVIEW |
GHS (Globally Harmonised System) Classification: Flammable liquids, Acute toxicity (Oral), Acute toxicity (Dermal). |
| SIGNAL WORD | Warning |
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PICTOGRAMS |
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HAZARD STATEMENTS |
H227-H302-H313 |
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P STATEMENTS |
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| EC DIRECTIVES |
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| HAZARD CODES |
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RISK PHRASES |
22 |
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SAFETY PHRASES |
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| PACKING |
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Preserve in light-resistant and well-closed containers |
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