Grundinformationen
- Standard-SMILES
ClCCOCCOCCCl- InChIKey
AGYUOJIYYGGHKV-UHFFFAOYSA-N- Summenformel
- C6.H12.Cl2.O2
- Durchschnittliche Molmasse
- 187,06 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Bis(2-chloroethoxy)ethane
- IUPAC
- 1,2-bis(2-chloroethoxy)ethane
- Englischer Name
- O O-BIS(2-CHLOROETHYL)POLYETHYLENE GLYCO
- Summenformel
- C6H12Cl2O2
- Molmasse
- 187.06428
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
112-26-5、27252-69-3- PubChem CID
- 8171
- DTXSID
DTXSID8047000- ChEMBL
CHEMBL3188977- UNII
- 28JQ82M13J
- EC Number
- 203-952-7
- Nikkaji
- J5.121G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 53,7
Experimentelle und physikochemische Eigenschaften
Density
1.1974 @ 20 °C/20 °C
1.197 @25 °C
Solubility
Soluble in carbon tetrachloride
In water, 18,900 mg/l @ 20 °C
Boiling Point
241.3 °C
241.3 °C @760 [mm Hg]
Melting Point
FP: -31.5 °C
-31.5 °C
Vapor Pressure
0.06 [mmHg]
0.06 mm Hg @ 20 °C
0.06 [mm Hg] @20 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 °C · ~63 °C (dec.)(lit.)
- storage temp.
- 20 °C · −20°C
- EPA chemische Informationen
- Poly(oxy-1,2-ethanediyl), .alpha.-(2-chloroethyl)-.omega.-(2-chloroethoxy)- (27252-69-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (98.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Status: Active Update: 12-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20453
1,2-Bis-(2-chloroethoxy) ethane: Does not have an individual approval but may be used under an appropriate group standard
NFPA Hazard Classification
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.
0 - Materials that in themselves are normally stable, even under fire conditions.
Peroxide Forming Chemical
1,2-Bis(2-chloroethoxy)ethane
D: Other compounds that may form peroxides
Kelly
Hazard Classes and Categories
Acute Tox. 3 (98.1%)
Acute toxicity (Oral) - Category 3
Sicherheit und Schutzausrüstung
Fire Fighting Procedures
Water or foam may cause frothing.
To fight fire use carbon dioxide or dry chemical.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Action Criteria (PAC)
0.49 [mg/m3]
5.4 [mg/m3]
32 [mg/m3]
Toxikologische Informationen
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 19(SRC), determined from a water solubility of 18,900 mg/l(2) and a regression-derived equation(3), indicates that 1,2-bis(2-chloroethoxy)ethane is expected to have very high mobility in soil(SRC). Volatilization of 1,2-bis(2-chloroethoxy)ethane from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 0.06 mm Hg(2), and water solubility, 18,900 mg/l(2). 1,2-Bis(2-chloroethoxy)ethane is not expected to volatilize from dry soil surfaces(SRC) based upon a its vapor pressure(2). 1,2-Bis(2-chloroethoxy)ethane is moderately resistent (eg, 2 to 18 months) to biodegradation(4). The compound was not degraded by bacteria isolated from soil enriched with triethylene glycol(5).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 19(SRC), determined from a water solubility of 18,900 mg/l(2) and a regression-derived equation(3), indicates that 1,2-bis(2-chloroethoxy)ethane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 7.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 0.06 mm Hg(2), and its water solubility(2). According to a classification scheme(4), an estimated BCF of 2(SRC), from its water solubility(2) and a regression-derived equation(5), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1,2-Bis(2-chloroethoxy)ethane is moderately resistent (eg, 2 to 18 months) to biodegradation(6). The compound was not degraded by bacteria isolated from soil enriched with triethylene glycol(7).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,2-bis(2-chloroethoxy)ethane, which has a vapor pressure of 0.06 mm Hg at 20 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase 1,2-bis(2-chloroethoxy)ethane 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 1.8 days(SRC), calculated from its rate constant of 8.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).
Soil Adsorption/Mobility
The Koc of is estimated as 19(SRC), using a water solubility of 18,900 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,2-bis(2-chloroethoxy)ethane is expected to have very high mobility in soil(SRC).
Artificial Pollution Sources
1,2-Bis(2-chloroethoxy)ethane's production and use as a solvent and chemical intermediate(1) may result in its release to the environment through various waste streams(SRC). A gross estimate of annual industrial discharge (as of 1975) is 30 tons(2). It has been suggested that 1,2-bis(2-chloroethoxy)ethane is possibly created during drinking water treatment by chlorination of diethoxyethane(2).
Environmental Biodegradation
The biodegradability of 1,2 bis(2-chloroethoxy)ethane has been classified as moderately persistent with a timeframe of 2 to 18 months(1).
1,2-Bis(2-chloroethoxy)ethane was not degraded by a pure culture of soil bacteria isolated from soil enriched with triethylene glycol (1).
Environmental Bioconcentration
An estimated BCF of 2 was calculated for 1,2-bis(2-chloroethoxy)ethane(SRC), using a water solubility of 18,900 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/Soil
The Henry's Law constant for 1,2-bis(2-chloroethoxy)ethane is estimated as 7.8X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 0.06 mm Hg(1), and water solubility, 18,900 mg/l(1). This Henry's Law constant indicates that 1,2-bis(2-chloroethoxy)ethane is expected to be essentially nonvolatile from water surfaces(2). 1,2-Bis(2-chloroethoxy)ethane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 1,2-bis(2-chloroethoxy)ethane with photochemically-produced hydroxyl radicals has been estimated as 8.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1.8 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1,2-Bis(2-chloroethoxy)ethane is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2) nor to directly photolyze due to the lack of absorption in the environmental portion of the UV spectrum (>290 nm)(SRC).
Probable Routes of Human Exposure
NIOSH (NOHS Survey 1972 1974) has statistically estimated that 125 workers are potentially exposed to 1,2-bis(2-chloroethoxy)ethane in the USA(1). Occupational exposure to 1,2-bis(2-chloroethoxy)ethane may occur through inhalation and dermal contact with this compound at workplaces where 1,2-bis(2-chloroethoxy)ethane is produced or used(SRC). Monitoring data indicate that the general population may be exposed to 1,2-bis(2-chloroethoxy)ethane via ingestion of drinking water containing 1,2-bis(2-chloroethoxy)ethane(SRC).
Environmental Water Concentrations
DRINKING WATER: 1,2-Bis(2-chloroethoxy)ethane was qualitatively detected in drinking water samples collected from the Torresdale Water Treatment Plant (Philadelphia, PA) during 8 sampling periods between Feb 1975 and Jan 1977(1). It has been tentatively detected in drinking water samples collected from Cincinnati, OH (Oct 1978)(2). A concn of 0.03 ug/l has been reported for drinking water samples from Philadelphia, PA (collection date not reported)(3).
SURFACE WATER: A 1,2-bis(2-chloroethoxy)ethane concn of 15 ppb was detected in samples collected from the Delaware River between Marcus Hook, PA and Trenton, NJ in March 1977(1); it was not detected (detection limit not reported) in samples collected in August, 1976(1). Concn of 0.03 ug/l were detected in the Rhine River (Netherlands) in Oct 1979 near Lobith and Maassluis(2).
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a solvent for hydrocarbons and oils, as an extractant, and to make resins and insecticides; [HSDB]
SOLVENT FOR HYDROCARBONS, OILS, ETC; EXTRACTANT; INTERMEDIATE FOR RESINS & INSECTICIDES; ORGANIC SYNTHESIS.
Formulations/Preparations
GRADE: TECHNICAL.
97%
General Manufacturing Information
Ethane, 1,2-bis(2-chloroethoxy)-: ACTIVE
Poly(oxy-1,2-ethanediyl), .alpha.-(2-chloroethyl)-.omega.-(2-chloroethoxy)-: ACTIVE
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…