3-Sulfolene

118.15

118.15

107004

201-059-7

Z6003L44MN

119477|56373|48532

DTXSID6021294

CRYSTALS

29349990

42.5

-1.448

Yellow to orange or light brown Powder

1.3 at 59° F (NTP, 1992)

64-65.5 °C

149.5-150 °C @ Press: 15 Torr

>230 °F

1.527

soluble in water, ethanol, benzene, ether.

Store below +30°C.

LD50 orally in Rabbit: 2547 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Henry's Law constant= 4.3X10-6 atm-cu m/mole at 25 °C (est)

Water soluble.

Hydrocarbons, Aliphatic Unsaturated

3-SULFOLENE is a sulfone. May be sensitive to elevated temperatures. May react with strong reducing agents to generate toxic and flammable hydrogen sulfide.

UN 3335

1

41

26-37/39

XM9100000

Xi

Stable, but decomposes above the melting point. Combustible. Incompatible with strong oxidizing agents.

P280-P305 + P351 + P338

H318

DHEW/NCI; Bioassay of 3-Sulfolene for Possible Carcinogenicity (1978) Technical Rpt Series No. 102 DHEW Pub No. (NIH) 78-1352

This chemical is combustible. (NTP, 1992)

|Danger|H318 (79.25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, P310, and P337+P313|Aggregated GHS information provided by 53 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

A bioassay of 3-sulfolene for possible carcinogenicity was conducted using Osborne-Mendel rats and B6C3F1 mice. 3-Sulfolene in corn oil was administered by gavage, at either two doses, to groups of 50 male and 50 female animals of each species. The 78 week period of chemical administration was followed by an observation period of 33 weeks for the high dose female rats and low dose rats of both sexes. ... All treated groups of mice were observed for an additional 13 weeks following chemical administration. ... The time weighted average high and low doses of 3-sulfolene in the chronic study were, respectively, 372 and 197 mg/kg/day for male rats, 240 and 120 mg/kg/day for female rats, 622 and 311 mg/kg/day for male mice and 768 and 384 mg/kg/day for the female mice. ... There were no tumors in either sex of rats or mice for which a significant positive association could be established between chemical administration and incidence. Under the conditions of this bioassay, there was no evidence for the carcinogenicity of 3-sulfolene to Osborne-Mendel rats or B6C3F1 mice.

2,5-Dihydrothiophene 1,1-dioxide is used as a specialty solvent in petroleum refining and during the manufacture of sulfolane which is also a solvent in petroleum refining(1); it may be released to the environment in waste streams from its production and use(SRC).

TERRESTRIAL FATE: An estimated Koc value of 4(1) for 2,5-dihydrothiophene 1,1-dioxide indicates high mobility in soil(2) and leaching may occur. No data were located which suggest biodegradation is an important terrestrial fate process of 2,5-dihydrothiophene 1,1-dioxide(SRC).|AQUATIC FATE: Based on an estimated Koc value of 4 and an estimated BCF value of 4.7(1), 2,5-dihydrothiophene 1,1-dioxide is not expected to adsorb to sediment or bioconcentrate in aquatic organisms. A volatilization half-life of 225 days has been estimated for a model river (one meter deep) suggesting slow volatilization from shallow rivers(1,SRC). No data were located which suggest biodegradation is an important environmental fate process of 2,5-dihydrothiophene 1,1-dioxide in aquatic systems(SRC).|ATMOSPHERIC FATE: Vapor phase 2,5-dihydrothiophene 1,1-dioxide is degraded in the ambient atmosphere by reaction with photochemically formed hydroxyl radicals; the half-life for this reaction in air can be estimated to be about 6.7 hrs(1,SRC). Vapor phase 2,5-dihydrothiophene 1,1-dioxide is also rapidly degraded by reaction with ozone in the troposphere; the half-life for this reaction in air can be estimated to be about 1.4 hrs(1,SRC).

The rate constant for the vapor-phase reaction of 2,5-dihydrothiophene 1,1-dioxide with photochemically produced hydroxyl radicals can be estimated to be 5.74X10-11 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 6.7 hrs at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of 2,5-dihydrothiophene 1,1-dioxide with ozone in the troposphere can be estimated to be 2X10-16 cu cm/molecule-sec at 25 °C which corresponds to a half-life of about 1.4 hrs at an atmospheric concn of 7X10+11 molecules per cu cm(1-2,SRC).

Based on an estimated log Kow of -1.448(2) the BCF for 2,5-dihydrothiophene 1,1-dioxide can be estimated to be 4.7 using a recommended regression derived equation(1,SRC). This BCF value suggests that 2,5-dihydrothiophene 1,1-dioxide would not bioconcentrate in aquatic organisms(SRC).

Based on an estimated log Kow of -1.448(2) the Koc for 2,5-dihydrothiophene 1,1-dioxide can be estimated to be about 4 using a recommended regression derived equation(1,SRC). This Koc value suggests that 2,5-dihydrothiophene 1,1-dioxide will have very high mobility in soil and will leach(3).

The Henry's Law constant for 2,5-dihydrothiophene 1,1-dioxide can be estimated to be 4.3X10-6 atm-cu m/mole at 25 °C using a chemical structure estimation method(1). This value of Henry's Law constant suggests that 2,5-dihydrothiophene 1,1-dioxide may slowly volatilize from water(2). Based on this Henry's Law constant value, the volatilization half-life of 2,5-dihydrothiophene 1,1-dioxide from a model river 1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec has been estimated to be approximately 225 days(2,SRC).

2,5-Dihydrothiophene 1,1-dioxide is used as a specialty solvent in petroleum refining and during the manufacture of sulfolane which is also a solvent in petroleum refining(1). In occupational settings, workers may be exposed to 2,5-dihydrothiophene 1,1-dioxide by inhalation of vapors and through eye and skin contact(SRC).

SYMPTOMS: Symptoms of exposure to this compound include headache, nausea, tiredness, gastrointestinal upset, tremors and convulsions. It is irritating to the eyes and prolonged exposure may cause skin irritation. ACUTE/CHRONIC HAZARDS: This compound is a severe eye irritant. When heated to decomposition it emits toxic fumes of sulfur oxides. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Petroleum lubricating oil and grease manufacturing|Thiophene, 2,5-dihydro-, 1,1-dioxide: ACTIVE