(2,2-dimethyl-1,3-dithiolan-4-yl)methanol
Names
[ CAS No. ]:
5694-47-3
[ Name ]:
(2,2-dimethyl-1,3-dithiolan-4-yl)methanol
[Synonym ]:
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
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
Precursor & DownStream
Precursor
DownStream
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%