Isopropyl methanesulfonate

138.19

138.19

213-132-0

T0K2TXY26B

DTXSID8031497

Clear, colorless liquid

29309090

51.8

0.4

Clear colorless Liquid

1.145 g/cm³ @ Temp: 20 °C

5.5-6.5 °C

30 °C @ Press: 0.02 Torr

104 °C

1.422

In water, 5.21X10+4 mg/L at 25 deg C (est)

0-6°C

0.436 mm Hg at 25 deg C (est)

Henry's Law constant = 7.16X10-6 atm-cu m/mol at 25 °C (est)

... decompose on distillation at normal pressure ... darken when stored in the absence of light ... form hydrates, are hygroscopic, and dissolve readily in water /Alkanesulfonic acids/|Hydroxyl radical reaction rate constant = 1.83X10-13 cu cm/molec-sec at 25 °C (est)

Ⅲ

6.1

UN 3265 8 / PGII

68-40-34-22

45-36/37/39-26

PB2275000

C

P201, P202, P260, P264, P270, P280, P281, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, P501

H302

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|H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P280, P281, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Feeding of butylated hydroxytoluene to male mice for 4 wk gave significant protection against the mortality caused by isopropyl methanesulfonate.

Isopropyl methanesulfonate's production and use as a catalyst(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 35(SRC), determined from a structure estimation method(2), indicates that isopropyl methanesulfonate is expected to have very high mobility in soil(SRC). Volatilization of isopropyl methanesulfonate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.1X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Isopropyl methanesulfonate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.43 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2007).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 35(SRC), determined from a structure estimation method(2), indicates that isopropyl methanesulfonate 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 7.1X10-6 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 48 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 0.25(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Hydrolysis is expected to be rapid by analogy to methyl methanesulfonate, which has measured hydrolysis half-lives in water of 4.56 hours at 25 °C(8) and 77 hours at 20 °C(9). Biodegradation data were not available(SRC, 2007).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isopropyl methanesulfonate, which has an estimated vapor pressure of 0.4 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 isopropyl methanesulfonate 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 9 days(SRC), calculated from its rate constant of 1.8X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Isopropyl methanesulfonate does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of isopropyl methanesulfonate with photochemically-produced hydroxyl radicals has been estimated as 1.8X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 9 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Hydrolysis is expected to be rapid by analogy to methyl methanesulfonate, which has measured hydrolysis half-lives in water of 4.56 hours at 25 °C(3) and 77 hours at 20 °C(4). Isopropyl methanesulfonate does not contain chromophores that absorb at wavelengths >290 nm(2) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 3 was calculated in fish for isopropyl methanesulfonate(SRC), using an estimated log Kow of 0.25(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).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isopropyl methanesulfonate can be estimated to be 35(SRC). According to a classification scheme(2), this estimated Koc value suggests that isopropyl methanesulfonate is expected to have very high mobility in soil.

The Henry's Law constant for isopropyl methanesulfonate is estimated as 7.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isopropyl methanesulfonate 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 6 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). Isopropyl methanesulfonate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.436 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to isopropyl methanesulfonate may occur through inhalation and dermal contact with this compound at workplaces where isopropyl methanesulfonate is produced or used. (SRC)

Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases. (See all compounds classified as Alkylating Agents.)

... Low quantities of 75 mg/kg were promptly metabolized producing urinary metabolites, S-isopropylcysteine and S-isopropylcysteine N-acetate, accounting for 30% of the administered dose.|... Isopropyl methanesulfonate ... in rat was found to yield isopropanol and methanesulfonic acid.

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

isopropyl methanesulfonate

Methanesulfonic acid, 1-methylethyl ester: INACTIVE

Analyte: isopropyl methanesulfonate; matrix: pharmaceutical preparation; procedure: capillary gas chromatography with flame ionization detection; limit of detection: 1 ug/g|Analyte: isopropyl methanesulfonate; matrix: pharmaceutical preparation; procedure: gas chromatography with mass selective detection operated in the selected ion monitoring (SIM) mode; limit of detection: 5 ppm|Analyte: isopropyl methanesulfonate; matrix: pharmaceutical preparation; procedure: in situ derivatization and headspace gas chromatography with mass spectrometry detection; limit of detection: 0.07 ng/mg|Analyte: isopropyl methanesulfonate; matrix: pharmaceutical preparation; procedure: gas chromatography with electron impact mass spectrometry detection; limit of detection: 0.05 ug/mL