Bicyclo[3.1.0]hex-3-en-2-one,4-methyl-1-(1-methylethyl)-
Names
[ CAS No. ]:
24545-81-1
[ Name ]:
Bicyclo[3.1.0]hex-3-en-2-one,4-methyl-1-(1-methylethyl)-
[Synonym ]:
Thuj-3-en-2-on
thuj-3-en-2-one
3-Thujen-2-one
THUJEN-2-ONE
Umbellulon
Chemical & Physical Properties
[ Density]:
1.057g/cm3
[ Boiling Point ]:
214.1ºC at 760mmHg
[ Molecular Formula ]:
C10H14O
[ Molecular Weight ]:
150.21800
[ Exact Mass ]:
150.10400
[ PSA ]:
17.07000
[ LogP ]:
2.17770
[ Vapour Pressure ]:
0.159mmHg at 25°C
[ Index of Refraction ]:
1.53
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XP0200000
- CHEMICAL NAME :
- 3-Thujen-2-one
- CAS REGISTRY NUMBER :
- 24545-81-1
- BEILSTEIN REFERENCE NO. :
- 2042730
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H14-O
- MOLECULAR WEIGHT :
- 150.24
- WISWESSER LINE NOTATION :
- L35 DV EUTJ CY1&1 F1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1450 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 22,777,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 965 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant Behavioral - sleep
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 46,77,1957
Safety Information
[ HS Code ]:
2914299000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2914299000
[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%