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

Modify Date: 2025-09-11 07:44:48

1,3-OXATHIOLANE, 2,2-DIMETHYL- Structure
1,3-OXATHIOLANE, 2,2-DIMETHYL- structure
 Common Name 1,3-OXATHIOLANE, 2,2-DIMETHYL-
CAS Number 5684-31-1 Molecular Weight 118.19700
Density 1.004g/cm3 Boiling Point 154.6ºC at 760 mmHg
Molecular Formula C5H10OS Melting Point N/A
MSDS N/A Flash Point 47.3ºC

 Names

Name 2,2-dimethyl-1,3-oxathiolane
Synonym More Synonyms

 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
InChIKey XLSCZCCJPDTCGU-UHFFFAOYSA-N
SMILES CC1(C)OCCS1

 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

Acetone structure

Acetone

CAS#:67-64-1

mercaptoethanol structure

mercaptoethanol

CAS#:60-24-2

~94%

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

1,3-OXATHIOLANE...

CAS#:5684-31-1

Literature: Streinz, Ludvik; Koutek, Bohumir; Saman, David Collection of Czechoslovak Chemical Communications, 1997 , vol. 62, # 4 p. 665 - 671
2,2-Dimethoxypropane structure

2,2-Dimethoxypropane

CAS#:77-76-9

mercaptoethanol structure

mercaptoethanol

CAS#:60-24-2

~86%

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

1,3-OXATHIOLANE...

CAS#:5684-31-1

Literature: Perio, Bertrand; Dozias, Marie-Joelle; Hamelin, Jack Organic Process Research and Development, 1998 , vol. 2, # 6 p. 428 - 430
2-ethoxy-1,3-oxathiolane structure

2-ethoxy-1,3-ox...

CAS#:65225-58-3

Acetone structure

Acetone

CAS#:67-64-1

~72%

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

1,3-OXATHIOLANE...

CAS#:5684-31-1

Literature: Tanimoto, Shigeo; Jo, Shigeo; Sugimoto, Toyonari; Okano, Masaya Bulletin of the Chemical Society of Japan, 1981 , vol. 54, # 10 p. 3237 - 3238

 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

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