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Bicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-, (1S,4R,5R)- cas no:546-80-5

Synonyms: 3-Thujanone,(1S,4R,5R)-(-)- (8CI); Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-,[1S-(1a,4a,5a)]-; (-)-Thujone; (-)-a-Thujone; NSC 93742; Thujon; Thujone; a-Thujone

Identification
NameBicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
CAS546-80-5
Synonyms3-Thujanone,(1S,4R,5R)-(-)- (8CI); Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-,[1S-(1a,4a,5a)]-; (-)-Thujone; (-)-a-Thujone; NSC 93742; Thujon; Thujone; a-Thujone
EINECS(EC#)208-912-2
Molecular FormulaC10H16 O
Molecular Weight152.23344
Chemical Properties
AppearanceColorless or almost colorless liquid with a menthol- like odor (Albert-Puleo, 1978; Budavari, 1996)
refractive indexn20/D 1.450
storage temp2-8°C
Safety Data

Hazard Toxic by ingestion.
Risk R22
Safety

Hazard Codes  Xn
Risk Statements  22
22: Thujone (546-80-5) is harmful if swallowed 
Safety Statements  23-26-36/37/39-45
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
26: Thujone (546-80-5) used, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
45: Thujone (546-80-5) used,in case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
RTECS  XO9625000
F  23


Toxicity
1.    

orl-rat LD50:500 mg/kg

    FRXXBL    French Demande Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #2448856 .
2.    

ipr-rat LDLo:120 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 65 (1939),275.
3.    

scu-mus LD50:2157 µg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 29 (1940),2.
4.    

scu-rbt LD50:362 µg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 29 (1940),2.
5.    

ivn-rbt LD50:31 µg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 29 (1940),2.

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