1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE

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Names

[ CAS No. ]:
2419-68-3

[ Name ]:
1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE

[Synonym ]:
MFCD00017633

Chemical & Physical Properties

[ Density]:
1.134±0.06 g/cm3(Predicted)

[ Boiling Point ]:
358.8±11.0 °C(Predicted)

[ Melting Point ]:
91-93 °C

[ Molecular Formula ]:
C₁₄H₁₆O₃

[ Molecular Weight ]:
232.27500

[ Exact Mass ]:
232.11000

[ PSA ]:
35.53000

[ LogP ]:
3.04370

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB3851700

CHEMICAL NAME :: 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-

CAS REGISTRY NUMBER :: 2419-68-3

LAST UPDATED :: 199109

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H16-O3

MOLECULAR WEIGHT :: 232.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978

Related Compounds

1-(benzenesulfonyl)-2-bromo-1H-pyrrolo[3,2-b]pyridine
3-Chloro-5-(pyrrolidin-3-yl)pyridine Hydrochloride
m-tolyl-[3-(3-thienyl)pyrrolidin-1-yl]methanone
7-fluoro-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
Tert-butyl 6-bromo-3-azabicyclo[3.1.0]hexane-3-carboxylate
1-(Benzenesulfonyl)-7-chloro-pyrrolo[3,2-b]pyridine-2-carboxylic acid
tert-Butyl 7-amino-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate
tert-Butyl 7-hydroxy-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate
Tert-butyl 1-fluoro-3-hydroxy-cyclobutanecarboxylate
(2R)-2-methylazetidin-3-ol

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