(1S,4R)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE

CAS No.
76231-76-0 ;546-80-5 ;1125-12-8
CCD No.
CCD00001289
Formula
C10H16O
MolWeight
152.235

Basic Information

Product Name: (1S,4R)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE
CAS: 76231-76-0 ;546-80-5 ;1125-12-8
English Synonyms: THUJON ; ALPHA-THUJONE ; (1S,4R)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE ; L-THUJONE ; A-(-)-THUJONE ; ALPHA+BETA-THUJONE ; (-)-3-ISOTHUJONE ; THUJONE ; (-)-ALPHA-THUJONE ; EMOLECULES 494536 ; ALPHA-(-)-THUJONE ; THUJONE, ALPHA-(-)-
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

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

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302
hazard symbol: Xn
Risk Code: R:22
WGK Germany: 3

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