CAS 1003-78-7|2,4-dimethylsulfolane

Introduction：Basic information about CAS 1003-78-7|2,4-dimethylsulfolane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	2,4-dimethylsulfolane
CAS Number	1003-78-7	Molecular Weight	148.22300
Density	1.136 g/mL at 25 °C(lit.)	Boiling Point	281 °C(lit.)
Molecular Formula	C₆H₁₂O₂S	Melting Point	−3 °C(lit.)
MSDS	/	Flash Point	294 °F

Names

Name	2,4-dimethylthiolane 1,1-dioxide
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.136 g/mL at 25 °C(lit.)
Boiling Point	281 °C(lit.)
Melting Point	−3 °C(lit.)
Molecular Formula	C₆H₁₂O₂S
Molecular Weight	148.22300
Flash Point	294 °F
Exact Mass	148.05600
PSA	42.52000
LogP	1.91030
Vapour Pressure	0.00688mmHg at 25°C
Index of Refraction	n20/D 1.473(lit.)
InChIKey	WKFQMDFSDQFAIC-UHFFFAOYSA-N
SMILES	CC1CC(C)S(=O)(=O)C1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XN0525000

CHEMICAL NAME :: Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide

CAS REGISTRY NUMBER :: 1003-78-7

BEILSTEIN REFERENCE NO. :: 0111239

LAST UPDATED :: 199707

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H12-O2-S

MOLECULAR WEIGHT :: 148.24

WISWESSER LINE NOTATION :: T5SWTJ B1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 140 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 72 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 32,539,1971

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 61 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 32,539,1971

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 115 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 32,539,1971

Safety Information

Hazard Codes	T: Toxic;
Risk Phrases	R25
Safety Phrases	S26-S36/37/39-S45
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	XN0525000
HS Code	2934999090

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

2,4-Dimethyltetrahydrothiophene-1,1-dioxide

MFCD00005485

2.4-Dimethyl-tetrahydrothiophen-1.1-dioxyd

2,4-Dimethyl sulfolane

EINECS 213-716-5

2,4-Dimethyl-sulfolan

2,4-DIAMINOPYRIMIDINE-5-CARBOXALDEHYDE

2,4-Dimethyl-tetrahydro-thiophen-1,1-dioxid

2,4-Dimethyltetrahydrothiophene dioxide

2,4-Dimethyltetramethylene sulfone

2,4-dimethyl sulfonate

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