Methyl thioglycolate

106.14400

106.14

219-121-7

O1608LA9EL

75117

DTXSID0033673

29309070

65.10000

0.08920

1.187

-24ºC

148 °C

56ºC

1.464-1.467

H2O: 40 g/L (20 ºC)

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool

3.58mmHg at 25°C

pKa= 8.08 @ 25 °C

III

3

UN 1992

1

R10; R20/22; R25; R36/37/38

S26-S28-S36/37/39-S45

AI7350000

T; Xn

P261-P301 + P310-P305 + P351 + P338

H226-H301-H315-H319-H332-H335

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.

|Danger|H226 (74.49%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 98 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P301+P310, P302+P352, P312, P314, P321, P322, P330, P333+P313, P363, P405, and P501

LD50 Rat oral 209 mg/kg|LD50 Rat ip 252 mg/kg|LD50 Mouse ip 100 mg/kg

Methyl thioglycolate's production and use as a chemical intermediate(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 6.4(SRC), determined from a structure estimation method(2), indicates that methyl thioglycolate is expected to have very high mobility in soil(SRC). Volatilization of the undissociated form of methyl thioglycolate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.22X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, a pKa of 8.08(5) indicates methyl thioglycolate will exist mostly in the ionized form at pH values above 8 and therefore at these pHs, volatilization from moist surfaces is not expected to be an important fate process. The potential for volatilization of methyl thioglycolate from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 7.5 mm Hg(SRC), determined from a fragment constant method(4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 6.4(SRC), determined from an estimation method(2), indicates that methyl thioglycolate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 6.22X10-6 atm-cu m/mole(SRC) for the unionized form, 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 4 and 48 days, respectively(SRC). A pKa of 8.08(8) indicates methyl thioglycolate will exist mostly in the ionized form at pH values above 8 and therefore volatilization from water surfaces at these pHs is not expected to be an important fate process. According to a classification scheme(5), an estimated BCF of 3.1(SRC), from an estimated log Kow of 0.32(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low.|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl thioglycolate, which has an estimated vapor pressure of 7.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl thioglycolate 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 11 hrs(SRC), calculated from its rate constant of 3.5X10-13 cu cm/molecule-sec at 25 °C, determined using a structure estimation method(3).

The rate constant for the vapor-phase reaction of methyl thioglycolate with photochemically-produced hydroxyl radicals has been estimated as 3.5X10-13 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 11 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 1.7 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 48 and 5 days at pH values of 7 and 8, respectively(2). Methyl thioglycolate is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm).

An estimated BCF of 3.2 was calculated for methyl thioglycolate(SRC), using an estimated log Kow of 0.32(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl thioglycolate can be estimated to be 6.4(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl thioglycolate is expected to have very high mobility in soil. The pKa of methyl thioglycolate is 8.08(3), indicating that this compound will exist in the dissociated form in the environment at basic conditions and anions generally do not adsorb to organic carbon and clay more strongly than their neutral counterparts.

The Henry's Law constant for methyl thioglycolate is estimated as 6.22X10-6 atm-cu m/mole(SRC) for the undissociated form using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl thioglycolate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 48 days(SRC). A pKa of 8.08(4) indicates methyl thioglycolate will exist mostly in the ionized form at pH values above 8 and therefore volatilization from water surfaces at these pHs is not expected to be an important fate process. Methyl thioglycolate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl thioglycolate from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 7.5 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to methyl thioglycolate may occur through inhalation at workplaces where methyl thioglycolate is produced or used. (SRC)

METHYL THIOGLYCOLATE PRODUCED REVERSIBLE ANTAGONISM OF OXYTOCIN ON ISOLATED UTERUS OF RAT, AN ANTAGONISM THAT OCCURRED AT RECEPTOR LEVEL. IT WAS SUGGESTED THAT THIS WAS CAUSED BY REVERSIBLE INACTIVATION OF ESSENTIAL DISULFIDE GROUPS IN THE RECEPTORS.

methyl mercaptoacetate

Acetic acid, 2-mercapto-, methyl ester: ACTIVE|/Has/ shown promise as raw material in several fine chemicals.|Can be used as the starting material to obtain methyl 3-amino-2- thiophenecarboxylate ... by reaction with 2-chloroacrylonitrile.

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