1,3,2-Dioxathiane,4-methyl-, 2-oxide

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Names

[ Name ]:
1,3,2-Dioxathiane,4-methyl-, 2-oxide

[Synonym ]:
4-methyltrimethylene sulphite
1,3-Butylene sulphite
cis-4-methyl-r-2-oxo-1,3,2-dioxathiane
4-Methyltrimethylene sulfite
EINECS 224-608-2
1,3-butylene glycol sulfite
4-methyl-2-oxo-1,3,2-dioxathiane
trans-4-methyl-r-2-oxo-1,3,2-dioxathiane
FDA 0477

Chemical & Physical Properties

[ Density]:
1.36 g/cm3

[ Boiling Point ]:
185ºC at 760 mmHg

[ Melting Point ]:
5℃

[ Molecular Formula ]:
C₄H₈O₃S

[ Molecular Weight ]:
136.17000

[ Flash Point ]:
69.3ºC

[ Exact Mass ]:
136.01900

[ PSA ]:
54.74000

[ LogP ]:
1.25620

[ Appearance of Characters ]:
liquid

[ Index of Refraction ]:
1.529

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EK1225000

CHEMICAL NAME :: 1,3-Butanediol, cyclic sulfite

CAS REGISTRY NUMBER :: 4426-51-1

BEILSTEIN REFERENCE NO. :: 1237514

LAST UPDATED :: 199712

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C4-H8-O3-S

MOLECULAR WEIGHT :: 136.18

WISWESSER LINE NOTATION :: T6OSOTJ BO D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 175 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 780 mg/kg/13D-I

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - hematuria Blood - changes in bone marrow (not otherwise specified)

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 560 mg/kg/14D-I

TOXIC EFFECTS :: Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea Blood - changes in bone marrow (not otherwise specified)

REFERENCE :: NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail 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%

Related Compounds

1,3,2-Dioxathiolane,4-methyl-, 2-oxide
1,3,2-Dioxathiolane,4-methyl-, 2-oxide, trans- (9CI)
1,3,2-Dioxathiane,4-(1-methylethyl)-,2-oxide,trans-(9CI)
1,3,2-Dioxathiane,4-(1-methylethyl)-,2-oxide,cis-(9CI)
1,3,2-Dioxaphosphorinane,4-methyl-2-(phenylthio)-, 2-oxide, cis- (9CI)
1,3,2-Dioxathiane,5-methyl-5-propyl-, 2-oxide
Ethyl 4-[(methylamino)methyl]piperidine-1-carboxylate hydrochloride
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tert-Butyl 3-[(methylamino)methyl]piperidine-1-carboxylate-oxalate (2:1)
Tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate;oxalic acid
Ethyl 3-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate hydrochloride
Ethyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate dihydrochloride
(3-Fluoro-4-thiomorpholin-4-ylphenyl)amine hydrochloride
3-Fluoro-4-(4-methyl-1H-pyrazol-1-yl)aniline hydrochloride
2-Chloro-5-[(3,5-dimethyl-1H-pyrazol-1-YL)methyl]-pyridine hydrochloride
2-Imidazo[2,1-b][1,3]thiazol-6-ylbutanoic acid hydrochloride

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