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

Modify Date: 2025-09-13 18:24:16

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
InChIKey HOOKDNNZCZMJNW-HWKANZROSA-N
SMILES CC(C)(O)CC(=O)C=Cc1ccc2c(c1)OCO2

 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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Chemsrc provides CAS#:6641-82-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one>> amp version: 1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one

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