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

  • 4-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-thiazole-4-amido}oxolane-3-carboxylic acid
  • 2-{1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylphenyl]-N-(prop-2-yn-1-yl)formamido}acetic acid
  • 3-{1-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropanecarbonyl]piperidin-3-yl}butanoic acid
  • 2-({3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]pentanamido}methyl)-1,3-thiazole-4-carboxylic acid
  • 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanamido]-5-hydroxybenzoic acid
  • 4-bromo-2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutaneamido]benzoic acid
  • 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanamido]-6-methylbenzoic acid
  • (3S)-3-({[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]formamido}methyl)-5-methylhexanoic acid
  • 4-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutaneamido]-3-methylbenzoic acid
  • (2R)-2-(2-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutyl}acetamido)-4-methylpentanoic acid
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