(2,2-dimethyl-1,3-dithiolan-4-yl)methanol

Modify Date: 2024-01-11 11:48:11

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol Structure
(2,2-dimethyl-1,3-dithiolan-4-yl)methanol structure
 Common Name (2,2-dimethyl-1,3-dithiolan-4-yl)methanol
CAS Number 5694-47-3 Molecular Weight 164.28900
Density 1.135g/cm3 Boiling Point 257.8ºC at 760 mmHg
Molecular Formula C6H12OS2 Melting Point N/A
MSDS N/A Flash Point 125.9ºC

 Names

Name (2,2-dimethyl-1,3-dithiolan-4-yl)methanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.135g/cm3
Boiling Point 257.8ºC at 760 mmHg
Molecular Formula C6H12OS2
Molecular Weight 164.28900
Flash Point 125.9ºC
Exact Mass 164.03300
PSA 70.83000
LogP 1.56340
Index of Refraction 1.544

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JP1155000
CHEMICAL NAME :
1,3-Dithiolane-4-methanol, 2,2-dimethyl-
CAS REGISTRY NUMBER :
5694-47-3
BEILSTEIN REFERENCE NO. :
0104513
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H12-O-S2
MOLECULAR WEIGHT :
164.30
WISWESSER LINE NOTATION :
T5S CSTJ B1 B1 D1Q

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 :
500 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: 17,235,1982

 Safety Information

HS Code 2934999090

 Synthetic Route

dimercaprol structure

dimercaprol

CAS#:59-52-9

~%

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol Structure

(2,2-dimethyl-1...

CAS#:5694-47-3
Literature: FMC Corporation Patent: US4702763 A1, 1987 ;
dimercaprol structure

dimercaprol

CAS#:59-52-9
2,2-Dimethoxypropane structure

2,2-Dimethoxypropane

CAS#:77-76-9

~73%

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol Structure

(2,2-dimethyl-1...

CAS#:5694-47-3
Literature: Holy Collection of Czechoslovak Chemical Communications, 1981 , vol. 46, # 12 p. 3134 - 3144
dimercaprol structure

dimercaprol

CAS#:59-52-9
Acetone structure

Acetone

CAS#:67-64-1

~%

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol Structure

(2,2-dimethyl-1...

CAS#:5694-47-3
Literature: Stocken Journal of the Chemical Society, 1947 , p. 592,594

 Precursor & DownStream

Precursor  3

DownStream  0

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolane
2,2-Dimethyl-1,3-dithiolane-4-methanol
2,2-dimethyl-4-hydroxymethyl-1,3-dithiolan
1,3-DITHIOLANE-4-METHANOL,2,2-DIMETHYL
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Chemsrc provides CAS#:5694-47-3 MSDS, density, melting point, boiling point, structure, etc. Its name is (2,2-dimethyl-1,3-dithiolan-4-yl)methanol>> amp version: (2,2-dimethyl-1,3-dithiolan-4-yl)methanol

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