2-(1,3-Dithiolan-2-yl)cyclooctanone

Modify Date: 2025-09-14 10:57:13

2-(1,3-Dithiolan-2-yl)cyclooctanone Structure
2-(1,3-Dithiolan-2-yl)cyclooctanone structure
 Common Name 2-(1,3-Dithiolan-2-yl)cyclooctanone
CAS Number 51717-65-8 Molecular Weight 230.39000
Density 1.153g/cm3 Boiling Point 370.5ºC at 760 mmHg
Molecular Formula C11H18OS2 Melting Point N/A
MSDS N/A Flash Point 160.3ºC

 Names

Name 2-(1,3-dithiolan-2-yl)cyclooctan-1-one

 Chemical & Physical Properties

Density 1.153g/cm3
Boiling Point 370.5ºC at 760 mmHg
Molecular Formula C11H18OS2
Molecular Weight 230.39000
Flash Point 160.3ºC
Exact Mass 230.08000
PSA 67.67000
LogP 3.33200
Index of Refraction 1.566
InChIKey DMEIANCCESJSAM-UHFFFAOYSA-N
SMILES O=C1CCCCCCC1C1SCCS1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY0175080
CHEMICAL NAME :
Cyclooctanone, 2-(1,3-dithiolan-2-yl)-
CAS REGISTRY NUMBER :
51717-65-8
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H18-O-S2
MOLECULAR WEIGHT :
230.41

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 :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 5,389,1973
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