Bicyclo[3.1.0]hex-3-en-2-one,4-methyl-1-(1-methylethyl)-

Suppliers

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thymol

DownStream

  • Thymol
  • 4-methyl-3,5-di(propan-2-yl)phenol
  • 3-Isopropyl-5-methylphenol
  • Piperitenone
  • m-Cresol
  • 4-Methyl-2,5-diisopropylphenol
  • 4-methylbicyclo[3.1.0]hex-3-en-2-one
  • 3-Methyl-2,5-diisopropylphenol
  • Bicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-

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%

Related Compounds

  • Methyl alpha-D-galactopyranosiduronic acid
  • N-(5-aminopentyl)-2-nitrobenzenesulfonamide
  • (2R,3R,4R,5S,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-methoxytetrahydro-2H-pyran
  • 3-Oxo-23,24-bisnorchol-4-en-22-oic acid
  • 6beta-Fluocinolone Acetonide
  • 1-Azabicyclo[4.2.0]oct-2-en-8-one
  • 2-(1-Aminoethyl)-4-ethylphenol
  • 2-Chloro-5-(4-chlorophenyl)pyrazine
  • 5-Cyclopropyl-1-isoquinolin-1-ylpyrazole-4-carboxylic acid
  • N-(1-cyanocyclohexyl)-2-{[(furan-2-yl)methyl](methyl)amino}propanamide