1,3-OXATHIOLANE, 2,2-DIMETHYL-

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Names

[ CAS No. ]:
5684-31-1

[ Name ]:
1,3-OXATHIOLANE, 2,2-DIMETHYL-

[Synonym ]:
1,3-OXATHIOLANE,2,2-DIMETHYL
2,3-oxathiolane

Chemical & Physical Properties

[ Density]:
1.004g/cm3

[ Boiling Point ]:
154.6ºC at 760 mmHg

[ Molecular Formula ]:
C5H10OS

[ Molecular Weight ]:
118.19700

[ Flash Point ]:
47.3ºC

[ Exact Mass ]:
118.04500

[ PSA ]:
34.53000

[ LogP ]:
1.48590

[ Index of Refraction ]:
1.471

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RP5400000
CHEMICAL NAME :
1,3-Oxathiolane, 2,2-dimethyl-
CAS REGISTRY NUMBER :
5684-31-1
BEILSTEIN REFERENCE NO. :
0102790
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H10-O-S
MOLECULAR WEIGHT :
118.21
WISWESSER LINE NOTATION :
T5O CS BHJ B1 B1

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 :
138 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00665

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acetone
  • mercaptoethanol
  • 2,2-Dimethoxypropane
  • 2-ethoxy-1,3-oxathiolane

DownStream

  • 2-propan-2-ylsulfanylethanol
  • Acetone
  • Phenylthioethene
  • Ethyl Isopropyl Ether
  • Androst-5-en-17-one, 3- (acetyloxy)-, cyclic 17-(1,2-ethanediyl monothioacetal), (3.beta.)-

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%

Related Compounds

  • 2,2-Diisopropyl-1,3-oxathiolane
  • 2-(2,6-dimethyl-1,5-heptadien-1-yl)-1,3-oxathiolane
  • 1,3-Oxathiolane,2,4-dimethyl-2-(1-methylethyl)-,trans-(9CI)
  • 1,3-Oxathiolane,2,4-dimethyl-2-(1-methylethyl)-,cis-(9CI)
  • 1,3-Oxathiolane,2,5-dimethyl-2-(1-methylethyl)-,cis-(9CI)
  • 1,3-Propanediol, 2,2-dimethyl-, 1-benzoate 3-methanesulfonate