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Substance Name: Sulfolane
RN: 126-33-0
UNII: Y5L06AH4G5
InChIKey: HXJUTPCZVOIRIF-UHFFFAOYSA-N

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Stimulants
  • Convulsants
  • Drug / Therapeutic Agent
  • Protective Agents
  • Radiation-Protective Agents
  • Skin / Eye Irritant

Molecular Formula

  • C4-H8-O2-S

Molecular Weight

  • 120.1712
 
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Names and Synonyms

Name of Substance

  • Sulfolane

Synonyms

  • 1,1-Dioxidetetrahydrothiofuran
  • 1,1-Dioxidetetrahydrothiophene
  • 1,1-Dioxothiolan
  • 2,3,4,5-Tetrahydrothiophene-1,1-dioxide
  • 5-17-01-00039 (Beilstein Handbook Reference)
  • AI3-09541
  • Bondelane A
  • Bondolane A
  • BRN 0107765
  • CCRIS 2310
  • Cyclic tetramethylene sulfone
  • Cyclotetramethylene sulfone
  • Dihydrobutadiene sulfone
  • Dihydrobutadiene sulphone
  • Dioxothiolan
  • EC 204-783-1
  • EINECS 204-783-1
  • HSDB 122
  • NSC 46443
  • RTECS XS3024000
  • Sulfalone
  • Sulfolan
  • Sulfolane
  • Sulpholane
  • Sulphoxaline
  • Tetrahydrothiofen-1,1-dioxid
  • Tetrahydrothiofen-1,1-dioxid [Czech]
  • Tetrahydrothiophene 1,1-dioxide
  • Tetrahydrothiophene 1-dioxide
  • Tetrahydrothiophene dioxide
  • Tetramethylene sulfone
  • Thiacyclopentane dioxide
  • Thiocyclopentane-1,1-dioxide
  • Thiolane-1,1-dioxide
  • Thiophan sulfone
  • Thiophane dioxide
  • Thiophene, tetrahydro-, 1,1-dioxide
  • UNII-Y5L06AH4G5

Systematic Names

  • Tetrahydrothiophene 1,1-dioxide
  • Tetramethylene sulfone
  • Thiophene, tetrahydro-, 1,1-dioxide

Superlist Names

  • Sulfolane
  • Thiophene, tetrahydro-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 126-33-0

FDA UNII

  • Y5L06AH4G5

Other Registry Number

  • 208252-54-4

System Generated Number

  • 0000126330

Structure Descriptors

InChI

1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

InChIKey

HXJUTPCZVOIRIF-UHFFFAOYSA-N

Smiles

S1(=O)(=O)CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1250mg/kg (1250mg/kg)   Russian Pharmacology and Toxicology Vol. 42, Pg. 97, 1979.
mouse LD50 intravenous 1080mg/kg (1080mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 423, 1959.
mouse LD50 oral 1900mg/kg (1900mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 560, 1969.
rabbit LD50 skin 3180uL/kg (3.18mL/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0535072,
rat LC inhalation > 250mg/m3/8H (250mg/m3)   National Technical Information Service. Vol. OTS0535072,
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Toxicologist. Vol. 4, Pg. 22, 1984.
rat LD50 oral 1540uL/kg (1.54mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 skin > 3800mg/kg (3800mg/kg)   British Journal of Industrial Medicine. Vol. 23, Pg. 302, 1966.
rat LD50 subcutaneous 1620uL/kg (1.62mL/kg)   National Technical Information Service. Vol. OTS0535072,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 27.6 deg C   EXP
Boiling Point 287.3 deg C   EXP
pKa Dissociation Constant 15.3 (none) 25 EXP
log P (octanol-water) -0.77 (none)   EXP
Vapor Pressure 0.0062 mm Hg   EXP
Henry's Law Constant 4.85E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.46E-12 cm3/molecule-sec 25 EST

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