2-(Ethylthio)ethanol

HCID 8075CAS 110-77-0

Grundinformationen

Standard-SMILES
CCSCCO
InChIKey
LNRIEBFNWGMXKP-UHFFFAOYSA-N
Summenformel
C4H10OS
Durchschnittliche Molmasse
106,19 g/mol
Monoisotopische Masse
106,04523594

Namen und Bezeichner

Bevorzugter Name
2-(Ethylthio)ethanol
IUPAC
2-ethylsulfanylethanol
Lokaler Name
2-(Ethylthio)ethanol
Englischer Name
Ethyl 2-hydroxyethyl sulfide
Summenformel
C4H10OS
Molmasse
106.19

Namen und Synonyme

2-(ETHYLTHIO)ETHANOL110-77-0Ethyl 2-hydroxyethyl sulfideEthanol, 2-(ethylthio)-2-ethylsulfanylethanolEthyl thioethanol2-Hydroxyethyl ethyl sulfide2-(ethylsulfanyl)ethan-1-olEthyl 2-hydroxyethyl thioether2-ethylthioethanolNSC 57105.beta.-Hydroxydiethyl sulfide
Weitere Namen anzeigen
ETHYLTHIOETHANOLβ-Hydroxyethylethyl sulfide-Ethylmercaptoether2-(ethylthio)-ethanoHydroxy ethyl sulfideTinidazole Impurity F-Hydroxydiethylsulfide
Tinidazole Impurity 5.beta.-Ethylthioethanol.beta.-ethylmerkaptoethanolEthyl .beta.-hydroxyethyl sulfideMFCD00002909NSC-571056091RQ1378beta-Ethylthioethanol

Datenbank-Bezeichner

CAS
110-77-0
PubChem CID
8075
DTXSID
DTXSID3059393
UNII
6091RQ1378
EC Number
203-802-0
Nikkaji
J53.964C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
45,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds (Alcohols)
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 Einträge

1.0166 at 20 °C/4 °C

1.015-1.023 (20 °C)

Color/FormPale straw liquid
Solubility · 4 Einträge

Sol in ether, other org solvents

Soluble in ethanol, very sol in acetone

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point · 3 Einträge

184.5 °C

Boiling point at 28 mm Hg = 99 °C

180-184 °C

Physikochemische Eigenschaften

Schmelzpunkt
-100 °C · -100°C
Siedepunkt
180 · 180-184 °C
Dichte
1.02 · 1.02
Dampfdruck
37 Pa · 37Pa at 25℃
FEMA
4562 · 4562 | ETHYL 2-HYDROXYETHYL SULFIDE
Brechungsindex
1.4859 · 1.4859-1.4879

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Ethanol, 2-(ethylthio)-

Status: Active Update: 13-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12425

Hazards Summary · 1 Eintrag

A skin and severe eye irritant; No evidence of developmental toxicity; Emergency treatment: Irritants; [HSDB] A severe skin and eye irritant; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [Alfa Aesar MSDS]

DOT Emergency Guidelines · 5 Einträge

/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)/

/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)/

/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)/

/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)/

For more DOT Emergency Guidelines (Complete) data for 2-(ETHYLTHIO)ETHANOL (8 total), please visit the HSDB record page.

Other Hazardous Reactions · 2 Einträge

Electrostatic charge may accumulate and create a hazardous condition when handling this material. To minimize this hazard, bonding and grounding may be necessary but may not, by themselves, be sufficient. Review all operations, which have the potential of generating an accumulation of electrostatic charge and/or a flammable atmosphere (including tank and container filling, splash filling, tank cleaning, sampling, gauging, switch loading, filtering, mixing, agitation, and vacuum truck operations) and use appropriate mitigating procedures.

Liquid evaporates and forms vapor (fumes) that can catch fire and burn with explosive force. Invisible vapor spreads easily and can be set on fire by many sources such as pilot lights, welding equipment, and electrical motors and switches. Fire hazard is greater as liquid temperature rises above 85F.

Hazard Classes and CategoriesSkin Corr. 1B (95.7%)

Sicherheit und Schutzausrüstung

Storage Conditions · 1 Eintrag

DO NOT USE OR STORE near heat, sparks or open flames. USE AND STORE ONLY IN WELL VENTILATED AREA. Keep container closed when not in use. ... Empty containers retain product residue (solid, liquid, and/or vapor) and can be dangerous. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose such containers to heat, flame, sparks, static electricity, or other sources of ignition. They may explode and cause injury or death. Empty containers should be completely drained, properly closed, and promptly returned to a drum reconditioner, or disposed of properly.

Disposal Methods · 1 Eintrag

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.

Personal Protective Equipment (PPE) · 3 Einträge

Eye/Face Protection: Wear eye protection such as safety glasses, chemical goggles, or faceshields if engineering controls or work practices are not adequate to prevent eye contact.

Skin Protection: Wear impervious protective clothing to prevent skin contact. Selection of protective clothing may include gloves, apron, boots, and complete facial protection depending on operations conducted. Users should determine acceptable performance characteristics of protective clothing. Consider physical requirements and other substances present when selecting protective clothing. Suggested materials for protective gloves include: Neoprene

Respiratory Protection: If exposure is anticipated to be greater than applicable exposure limits, wear a NIOSH approved respirator that provides adequate protection from measured concentrations of this material. Use the following elements for air-purifying respirators: Full-Face Air-Purifying Respirator for Acid Gases and Organic Vapors Use a positive pressure, air-supplying respirator if there is potential for uncontrolled release, exposure levels are not known, or other circumstances where air-purifying respirators may not provide adequate protection.

Toxikologische Informationen

Ecotoxicity ValuesEC50; Species: Daphnia magna (Water flea); Conditions: freshwater; NR; Concentration: 29600 ug/L for 24 hr; Effect: intoxication, immobile /formulated product/
Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 4.5(SRC), determined from a structure estimation method(2), indicates that 2-(ethylthio)ethanol is expected to have very high mobility in soil(SRC). Volatilization of 2-(ethylthio)ethanol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.1X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 2-(Ethylthio)ethanol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.9X10-1 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2006).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 4.5(SRC), determined from a structure estimation method(2), indicates that 2-(ethylthio)ethanol 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 5.1X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3.2(SRC), from an estimated log Kow of 0.44(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2006).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-(ethylthio)ethanol, which has an estimated vapor pressure of 1.9X10-1 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-(ethylthio)ethanol 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 7.2 days(SRC), calculated from its rate constant of 2.2X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 2-(Ethylthio)ethanol does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

Adverse EffectsDermatotoxin - Skin burns.
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-(ethylthio)ethanol can be estimated to be 4.5(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-(ethylthio)ethanol is expected to have very high mobility in soil.

Human Toxicity Excerpts · 3 Einträge

/SIGNS AND SYMPTOMS/ Eye: Contact with the eyes causes severe irritation; symptoms may include pain, tearing, reddening, swelling and impaired vision ... .

/SIGNS AND SYMPTOMS/ Skin: According to a manufacturer, this material may be irritating to the skin. ... Symptoms may include pain, itching, discoloration, swelling, and blistering.

/SIGNS AND SYMPTOMS/ ... Symptoms may include nausea, vomiting and diarrhea.

Artificial Pollution Sources · 1 Eintrag

2-(Ethylthio)ethanol's production and use as an intermediate in the production of pesticides, lubricating and cutting oil additives, flotation agents, plasticizers(1) may result in its release to the environment through various waste streams(SRC).

Sicherheitsdaten

wgk
WGK 2 water endangering
tsca
TSCA listed
ridadr
1760
hs_code
29309099
RTECS-Nr.
KL1225000
risk_code
36/38-34

Chemie und Industrie

Verwendung und Herstellung

Uses · 6 Einträge

Used to make pesticides, lubricating and cutting oil additives, flotation agents, and plasticizers; Also used in food flavoring in Japan; [HSDB]

Intermediate for pesticides, lubricating and cutting oil additives, flotation agents, plasticizers

IN SYNTHESIS

CHEM INT FOR PESTICIDES, EG, DISULFOTON

CHEM INT FOR LUBRICATING & CUTTING OIL ADDITIVES

For more Uses (Complete) data for 2-(ETHYLTHIO)ETHANOL (6 total), please visit the HSDB record page.

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 2 Einträge

(1978) MORE THAN 4.54X10+8 G (EST CONSUMPTION)

(1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Methods of Manufacturing · 2 Einträge

Preparation from 2-chloroethanol and ethyl mercaptan; ... from 2-thioethaanol and diethyl sulfate.

REACTION OF 2-CHLOROETHANOL WITH ETHYL MERCAPTAN

Formulations/PreparationsGRADE: 95% MINIMUM

Anwendungen

VerwendenOrganic intermediate (pesticides, plasticizers, etc.).

Anbieter50 Anbieter

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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