Sulfolane

HCID 178742095CAS 208252-54-4

基本信息

标准SMILES
O=S1(=O)CCCC1
InChIKey
HXJUTPCZVOIRIF-UHFFFAOYSA-N
分子式
C4H8O2S
平均分子量
120.17 g/mol

概述

Sulfolane is a colorless oily liquid with a weak oily odor. Solidifies (freezing point is 79 °F) and sinks on first contact with water, then mixes with water. (USCG, 1999)

名称与标识

首选名称
Sulfolane
IUPAC
thiolane 1,1-dioxide
英文名
thiolane 1,1-dioxide
分子式
C4H8O2S
分子量
120.17

名称与别名

SULFOLANE126-33-0Tetrahydrothiophene 1,1-dioxideTetramethylene sulfoneSulfolan1,1-DioxothiolanSulpholaneThiophene, tetrahydro-, 1,1-dioxidethiolane 1,1-dioxideSulfaloneSulphoxalineDioxothiolan
展开更多名称
thiolane1,1-dioxideThiolane-1,1-dioxide
Thiophan sulfoneBondelane ABondolane AThiophane dioxideThiacyclopentane dioxideCyclotetramethylene sulfoneTetrahydrothiophene dioxideDihydrobutadiene sulfone

数据库标识

CAS
208252-54-4
ChEMBL
CHEMBL3186899
ChEBI
CHEBI:74794
UNII
Y5L06AH4G5
EC Number
204-783-1
Nikkaji
J3.792.736H

性质

结构计算性质

XLogP
-0.8
极性表面积
42.5 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
7

实验与物化性质

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 条

log Kow= -0.77

-0.77

OdorOdorless
TasteSlightly bitter taste
Density · 3 条

1.26 at 86 °F (USCG, 1999) - Denser than water; will sink

1.2606 at 30 °C/4 °C

1.261 @25 °C

安全与法规

GHS分类

GHS Classification · 6 条

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

危害信息

Regulatory Information · 4 条

Chemical: Thiophene, tetrahydro-, 1,1-dioxide

Thiophene, tetrahydro-, 1,1-dioxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiophene, tetrahydro-, 1,1-dioxide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 02-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13657

Sulpholane: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelClass 9
Fire HazardsSpecial Hazards of Combustion Products: Toxic, irritating gases may be generated in fires. (USCG, 1999)
Fire PotentialCombustible when exposed to heat or flame.
Health HazardsVery mildly irritating to the eyes. (USCG, 1999)
Hazards Summary · 1 条

Not irritating or sensitizing to rabbit skin; Mildly irritating to rabbit eyes; All rats convulsed during aerosolized exposure in lethal-concentration study; Convulsions observed in sub-chronic inhalation studies of dogs and monkeys and clonic-tonic convulsions noted in rats exposed by oral and parenteral routes; Intraperitoneal injection causes decreased metabolic rate and hypothermia in mice and rats; No evidence of mutagenicity; [HSDB] A mild eye irritant; [Alfa Aesar MSDS]

安全与防护

Fire FightingFire Extinguishing Agents: Water, foam, dry chemicals, or carbon dioxide (USCG, 1999)
First AidINGESTION: induce vomiting.
Firefighting HazardsPoisonous gases are produced in fire.
Fire Fighting Procedures · 2 条

Water or foam may cause frothing.

Wear goggles and self-contained breathing apparatus. Extinguish with water, foam, dry chemical, or carbon dioxide.

Nonfire Spill ResponseExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Disposal Methods · 1 条

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

毒理信息

Interactions · 2 条

After oral or parenteral admin to rodents, analeptic effects of sulfolane were nearly additive with those of metrazol. When injected simultaneously with phenobarbital, it decr phenobarbital sleeping time in mice, but incr time when admin 1 hr before.

Rats receiving sulfolane at 240-300 mg/kg, ip, 20 min before irradiation showed 3 times as many bone marrow karyocytes as did control animals after receiving 300-900 rads gamma-irradiation. Mice receiving 120-240 mg/kg showed twice as many as controls.

Ecotoxicity Values · 5 条

LC50 Carassius auratus (Goldfish, 6.2 +/-0.7 cm, approx 3.3 g) 4800 mg/L/24 hr; static, aerated, dissolved oxygen >/= 4 mg/L, pH 6-8, 20 °C

LC50 Gambusia affinis (Mosquitofish) 1930 mg/L/96 hr /Conditions of bioassay not specified in source examined/

EC50 Selenastrum capricornutum (Algae; growth inhibition) >1000 mg/L/96 hr; static, 24 +/- 1 °C, constant illumination

EC50 Crassostrea gigas (Pacific oyster, embryo; embryo larval test) 460 mg/L/24 hr; static, artificial sea water, dissolved oxygen 6.8-7.1 mg/L, pH 7.9, 25 °C

For more Ecotoxicity Values (Complete) data for SULFOLANE (6 total), please visit the HSDB record page.

Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a classification scheme(1), Koc values in the range of 4-35 measured in aquifer material from a natural gas plant(2), indicates that sulfolane is expected to have very high mobility in soil(SRC). Volatilization of sulfolane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.8X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Sulfolane is not expected to volatilize from dry soil surfaces given a vapor pressure of 0.0062 mm Hg(4). Microcosms constructed of groundwater and sediment obtained from natural gas plants suggest that sulfolane degrades readily under aerobic conditions (half-lives of 2-3 days), but was shown to be recalcitrant under anaerobic conditions(5,6).

AQUATIC FATE: Based on a classification scheme(1), Koc values in the range of 4-35 measured in aquifer material from a natural gas plant(2), indicates that sulfolane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 4.8X10-6 atm-cu m/mole (SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 6 and 64 days, respectively(SRC). Sulfolane is not expected to undergo hydrolysis in water due to the lack of hydrolyzable functional groups(3). According to a classification scheme(5), BCF values of <13, measured in carp(6) suggest that bioconcentration in aquatic organisms is low(SRC). Sulfolane did not pass the OECD ready biodegradation test(6), suggesting that biodegradation will not be fast. However, aquifer slurries constructed with soil and groundwater from a natural gas plant were shown to be capable of degrading sulfolane under aerobic conditions (half-lives of approximately 2-3 days); no degradation was observed under anaerobic conditions(7,8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), sulfolane, which has a vapor pressure of 0.0062 mm Hg at 25 °C (2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase sulfolane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 29 hours(SRC), calculated from its rate constant of 1.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Effluent ConcentrationsSulfolane was detected in effluents of advanced waste water treatment plants in Orange county, CA(1). Sulfolane was detected in landfill leachate from municipal waste in Japan at 1200 ug/L(2).
Soil Adsorption/Mobility · 1 条

Sulfolane exhibited very high mobility in batch adsorption experiments using aquifer material from 3 natural gas plants in Canada(1). In each experiment, the soil adsorption isotherms were linear and the soil adsorption coefficient (Kd) of sulfolane was very low (Kd < 1). The corresponding Koc values in these low organic (0.2-0.9% organic carbon) materials were in the range of 4-35. The Koc value of sulfolane using a humus rich soil (pH = 6.9, 3.6% organic carbon) was 3(1). According to a classification scheme(2), this range of Koc values suggests that sulfolane is expected to have very high mobility in soil(SRC).

法规信息

TSCA Requirements · 2 条

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Sulfolane is included on this list.

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329.

Atmospheric Standards · 1 条

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Sulfolane is produced, as an intermediate or a final product, by process units covered under this subpart.

化学与工业

药理信息

Biological Half-LifePlasma half-life is between 3 1/2-5 hours.
Metabolism/MetabolitesWhen administered intraperitoneally, sulfolane is excreted both unchanged and as 3-hydroxysulfolane.
MeSH Pharmacological Classification · 2 条

Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.

Absorption, Distribution and Excretion · 2 条

Absorbed rapidly and completely by the gastrointestinal tract. Passed easily through the blood-brain barrier. ...Urine and fecal elimination /times/ were 36.5 and 59 hours respectively. ...Sulfolane is rapidly absorbed by the blood and excreted in urine. ...Excreted mainly as 3-hydroxysulfolane, with some unchanged sulfolane, the percentage of the latter increasing with increasing oral doses.

When administered intraperitoneally, sulfolane is excreted both unchanged and as 3-hydroxysulfolane.

用途与制造

Uses · 6 条

Used as a solvent (aromatics extraction and polymerization), plasticizer, curing agent (epoxy resins) and therapeutic (antibacterial, convulsant, and radiation-protective agent); Also used for acid gas purification, fractionation (wood tars, tall oil, and other fatty acids), and textile finishing; [HSDB] Used in electronic applications, pharmaceutical manufacturing (solvent), jet printing inks (solvent), and medicines (believed to exist only in patent literature); [SIDS UNEP]

Semiconductor Manufacturing [Category: Industry]

Selective solvent for liquid-vapor extractions.

Solvent for aromatics extraction; for acid gas purification.

Extraction of aromatic hydrocarbons from oil refinery streams; polymerization solvent; plasticizer.

Fractionation of wood tars, tall oil, and other fatty acids; component of hydraulic fluid; textile finishing.

U.S. Exports(1972) NEGLIGIBLE
U.S. Imports(1972) NEGLIGIBLE
U.S. Production · 6 条

2023: 1,000,000 - <5,000,000 lb

Thiophene, tetrahydro-, 1,1-dioxide is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1986) >1 million - 10 million pounds

(1990) >1 million - 10 million pounds

(1994) >1 million - 10 million pounds

For more U.S. Production (Complete) data for SULFOLANE (7 total), please visit the HSDB record page.

Consumer UsesSolvent
Industry UsesOther

相关反应

0 条

当前筛选下没有反应记录。

关联笔记

加载中…