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Home > Encyclopedia > 2-(Ethylthio)ethanol

2-(Ethylthio)ethanol

2-(Ethylthio)ethanol structure

2-(Ethylthio)ethanol 

structure
  • CAS No:

    110-77-0

  • Formula:

    C4H10OS

  • Chemical Name:

    2-(Ethylthio)ethanol

  • Synonyms:

    Ethanol,2-(ethylthio)-;2-(Ethylthio)ethanol;Ethyl 2-hydroxyethyl sulfide;Ethyl 2-hydroxyethyl thioether;β-Hydroxydiethyl sulfide;2-Hydroxyethyl ethyl sulfide;Ethyl β-hydroxyethyl sulfide;β-Ethylthioethanol;2-Ethylmercaptoethanol;NSC 57105;2-(Ethylthio)-1-ethanol;3-Thia-1-pentanol;2-Ethylsulfanyl-ethanol;2-(Ethylsulfanyl)ethanol;2-(Ethylsulfanyl)ethan-1-ol

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Clear colourless to yellow liquid; Powerful meat-like aroma

2-(Ethylthio)ethanol Basic Attributes

106.19

106.19

1731373

203-802-0

6091RQ1378

57105

DTXSID3059393

Pale straw liquid

2930909090

Characteristics

45.5

0.44 (est)

Clear colorless to yellow Liquid

1.0166 g/cm3 @ Temp: 20 °C

-100 °C (approx)

184.5 °C @ Press: 760 Torr

>110°C

1.480

In water, 9.3X10+4 mg/L water at 25 deg C (est)

Store below +30°C.

1.9X10-1 mm Hg at 25 deg C (est)

Oral-rat LD50: 2320 mg/kg

Open flame is flammable; the fire emits sulfur oxides to stimulate the smoke

Henry's Law constant = 5.1X10-8 atm-cu m/mol at 25 °C (est)

Hydroxyl radical reaction rate constant = 2.2X10-11 cu cm/molec-sec at 25 °C (est)|Distillation range 180-184 °C

Safety Information

III

8

1760

36/38-34

24/25-45-36/37/39-28-27-26

KL1225000

Xi,C

The warehouse is ventilated, low temperature and dry; stored and transported separately from food and oxidants

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

H314

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.

|Danger|H314 (97.78%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory.

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.

/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.

Toxicity

moderately toxic

LC50 Rat inhalation >461 ppm (4 hr)

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).

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).

The rate constant for the vapor-phase reaction of 2-(ethylthio)ethanol with photochemically-produced hydroxyl radicals has been estimated as 2.2X10-11 cu cm/molec-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7.2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2-(Ethylthio)ethanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 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(2).

An estimated BCF of 3.2 was calculated for 2-(ethylthio)ethanol(SRC), using an estimated log Kow of 0.44(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), provided the compound is not metabolized by the organism(SRC).

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.

The Henry's Law constant for 2-(ethylthio)ethanol is estimated as 5.1x10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-(ethylthio)ethanol is expected to be essentially nonvolatile from water surfaces(2). 2-(Ethylthio)ethanol's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). 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(3).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,822 workers (272 of these are female) are potentially exposed to 2-(ethylthio)ethanol in the US(1). Occupational exposure to 2-(ethylthio)ethanol may occur through inhalation and dermal contact with this compound at workplaces where 2-(ethylthio)ethanol is produced or used(SRC).

Drug Information

/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.

2-(Ethylthio)ethanol Use and Manufacturing

Methods of Manufacturing

1. The ethylene oxide method uses ethylene oxide as a raw material to react with ethanethiol. 2. Take chloroethanol as raw material, and make it by reaction with ethyl mercaptan.

Uses

This product is an intermediate of pesticide internal phosphorus absorption and methyl internal phosphorus absorption. It is also an intermediate of some fine chemicals.


Laboratory chemicals

Production

< 25,000 lb|(1978) MORE THAN 4.54X10+8 G (EST CONSUMPTION)|(1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS

GRADE: 95% MINIMUM

All other chemical product and preparation manufacturing|Ethanol, 2-(ethylthio)-: ACTIVE

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:106.19
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:106.04523611
Monoisotopic Mass:106.04523611
Topological Polar Surface Area:45.5
Heavy Atom Count:6
Complexity:23.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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