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Substance Name: 2,4-Dimethylsulfolane
RN: 1003-78-7
UNII: 730490CA09
InChIKey: WKFQMDFSDQFAIC-UHFFFAOYSA-N

Note

  • Has effect on central nervous system.

Molecular Formula

  • C6-H12-O2-S

Molecular Weight

  • 148.225
 
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Names and Synonyms

Name of Substance

  • 2,4-Dimethylsulfolane

Synonyms

  • 2,4-Dimethyl sulfolane
  • 2,4-Dimethylsulfolane
  • 2,4-Dimethyltetrahydrothiophene dioxide
  • 2,4-Dimethyltetramethylene sulfone
  • 5-17-01-00097 (Beilstein Handbook Reference)
  • AI3-14671
  • BRN 0111239
  • EINECS 213-716-5
  • NSC 60703
  • UNII-730490CA09

Systematic Names

  • 2,4-Dimethyltetrahydrothiophene-1,1-dioxide
  • Tetrahydro-2,4-dimethylthiophene 1,1-dioxide
  • Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 1003-78-7

FDA UNII

  • 730490CA09

System Generated Number

  • 0001003787

Structure Descriptors

InChI

1S/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3

InChIKey

WKFQMDFSDQFAIC-UHFFFAOYSA-N

Smiles

S1([C@@H](C[C@@H](C1)C)C)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971.
mouse LD50 intravenous 61mg/kg (61mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971.
mouse LD50 oral 140mg/kg (140mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
rabbit LD50 intravenous 36mg/kg (36mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971.
rabbit LD50 oral 115mg/kg (115mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
rabbit LDLo skin 3600mg/kg (3600mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
rat LDLo oral 100mg/kg (100mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.00E+00 deg C   EXP
Boiling Point 281 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Atmospheric OH Rate Constant 2.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.