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

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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

  • 3-(2-{[(Tert-butoxy)carbonyl]amino}-5-chlorophenyl)-2-hydroxypropanoic acid
  • 2-ethyl-3-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutanecarbonyl}-1,3-thiazolidine-4-carboxylic acid
  • [5-(1-tert-butyl-1H-pyrazol-4-yl)piperidin-3-yl]methanamine
  • 4-{5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-oxazole-4-carbonyl}morpholine-2-carboxylic acid
  • 2-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)but-2-enamido]methyl}-3-methylbutanoic acid
  • 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanamido]benzoic acid
  • 3-{[(2S)-3-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]methyl}-2,2-difluorocyclopropane-1-carboxylic acid
  • (1RS,3SR)-3-{[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]methyl}-2,2-difluorocyclopropane-1-carboxylic acid
  • rac-(1R,3S)-3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxybutanamido]methyl}-2,2-difluorocyclopropane-1-carboxylic acid
  • 6-bromo-2-{3-[(2-ethyl-1H-imidazol-1-yl)methyl]azetidin-1-yl}-1,3-benzothiazole
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