1,3-Dithiane,2-methyl-2-phenyl-

Modify Date: 2025-08-24 23:05:21

1,3-Dithiane,2-methyl-2-phenyl- Structure
1,3-Dithiane,2-methyl-2-phenyl- structure
 Common Name 1,3-Dithiane,2-methyl-2-phenyl-
CAS Number 6331-22-2 Molecular Weight 210.35900
Density 1.118g/cm3 Boiling Point 325.8ºC at 760 mmHg
Molecular Formula C11H14S2 Melting Point N/A
MSDS N/A Flash Point 153.3ºC

 Names

Name 2-methyl-2-phenyl-1,3-dithiane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.118g/cm3
Boiling Point 325.8ºC at 760 mmHg
Molecular Formula C11H14S2
Molecular Weight 210.35900
Flash Point 153.3ºC
Exact Mass 210.05400
PSA 50.60000
LogP 3.72940
Index of Refraction 1.594
InChIKey CAVORIBXCDTNBO-UHFFFAOYSA-N
SMILES CC1(c2ccccc2)SCCCS1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JO5265000
CHEMICAL NAME :
m-Dithiane, 2-methyl-2-phenyl-
CAS REGISTRY NUMBER :
6331-22-2
LAST UPDATED :
198806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-S2
MOLECULAR WEIGHT :
210.37

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 :
1500 mg/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: 19,461,1984

 Synthetic Route

 Synonyms

1,3-Dithiane,2-methyl-2-phenyl
2-methyl-2-phenyl-[1,3]dithiane
2-methylphenyl-1,3-dithiane
2-Methyl-2-phenyl-[1,3]dithian
m-DITHIANE,2-METHYL-2-PHENYL
2-Methyl-2-phenyl-m-dithiane
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