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Basic Information |
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Product Name: | (1S,4R)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE |
CAS: | 546-80-5 ;1125-12-8 ;76231-76-0 |
English Synonyms: | (-)-ALPHA-THUJONE ; ALPHA-THUJONE ; THUJONE ; A-(-)-THUJONE ; (1S,4R)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE ; ALPHA-(-)-THUJONE ; EMOLECULES 494536 ; L-THUJONE ; (-)-3-ISOTHUJONE ; THUJONE, ALPHA-(-)- ; THUJON ; ALPHA+BETA-THUJONE |
MDL Number.: | MFCD00001313 |
H bond acceptor: | 1 |
H bond donor: | 0 |
Smile: | [H][C@]12C[C@]1(CC(=O)[C@@H]2C)C(C)C |
InChi: | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 |
InChiKey: | InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N |
Property |
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Density: | 0.914g/mLat20°C(lit.) |
Physical Property: | FLASHPOINT: 147.2 DEG F FLASHPOINT: 64 DEG C REFRACTIVE INDEX: N20/D 1.450 |
Comments: | ASSAY METHOD: GC BIOCHEM/PHYSIOL ACTIONS: GABAA RECEPTOR ANTAGONIST OPTICAL ACTIVITY: [ALPHA]20/D -19.0+/-2.0 DEG, NEAT OTHER NOTES: CHIRAL BUILDING BLOCK RTECS: XO9625000 STORAGE TEMPERATURE: 2-8 DEG C UNSPSC: 12352100 WGK: 3 |
Safety information |
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Symbol: | GHS07 |
Signal word: | Warning |
Hazard statements: | H302 |
hazard symbol: | Xn |
Risk Code: | R:22 |
WGK Germany: | 3 |
* If the product has intellectual property rights, a license granted is must or contact us.