5694-47-3

5694-47-3 structure

5694-47-3 structure

Name: (2,2-dimethyl-1,3-dithiolan-4-yl)methanol
Chemical Name: (2,2-dimethyl-1,3-dithiolan-4-yl)methanol
CAS Number: 5694-47-3
Molecular Formula: C₆H₁₂OS₂
Molecular Weight: 164.28900
Create Date: 2016-06-09 01:54:12
Modify Date: 2024-01-11 11:48:11

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

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

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

HS Code	2934999090

59-52-9 structure

59-52-9

~%

5694-47-3 structure

5694-47-3

Literature: FMC Corporation Patent: US4702763 A1, 1987 ;

59-52-9 structure

59-52-9

77-76-9 structure

77-76-9

~73%

5694-47-3 structure

5694-47-3

Literature: Holy Collection of Czechoslovak Chemical Communications, 1981 , vol. 46, # 12 p. 3134 - 3144

59-52-9 structure

59-52-9

67-64-1 structure

67-64-1

~%

5694-47-3 structure

5694-47-3

Literature: Stocken Journal of the Chemical Society, 1947 , p. 592,594

Precursor 3
59-52-9 77-76-9 67-64-1
DownStream 0

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