1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one

Modify Date: 2024-01-12 16:24:30

1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one Structure
1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one structure
Common Name 1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one
CAS Number 6641-82-3 Molecular Weight 248.27400
Density 1.227g/cm3 Boiling Point 414.1ºC at 760 mmHg
Molecular Formula C14H16O4 Melting Point N/A
MSDS N/A Flash Point 156.3ºC

 Names

Name (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one

 Chemical & Physical Properties

Density 1.227g/cm3
Boiling Point 414.1ºC at 760 mmHg
Molecular Formula C14H16O4
Molecular Weight 248.27400
Flash Point 156.3ºC
Exact Mass 248.10500
PSA 55.76000
LogP 2.15860
Index of Refraction 1.591

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP8670000
CHEMICAL NAME :
1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-
CAS REGISTRY NUMBER :
6641-82-3
LAST UPDATED :
199806
DATA ITEMS CITED :
1

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 :
FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2253503
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