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Home > Encyclopedia > toluene-alpha-sulphonic acid

toluene-alpha-sulphonic acid

toluene-alpha-sulphonic acid structure

toluene-alpha-sulphonic acid 

structure
  • CAS No:

    100-87-8

  • Formula:

    C7H8O3S

  • Chemical Name:

    toluene-alpha-sulphonic acid

  • Synonyms:

    toluene-alpha-sulphonic acid;Benzenemethanesulfonic acid;Toluene-alpha-sulfonic acid

toluene-alpha-sulphonic acid Basic Attributes

172.2

172.20

202-897-6

5BRP81V98H

TSCA listed

DTXSID2059221

Characteristics

1.385±0.06 g/cm3(Predicted)

1.44±0.50(Predicted)

9.9×103mol/(m3Pa) at 25℃, HSDB (2015)

TSA-94/30 LESS CORROSIVE TO STAINLESS STEEL THAN 75% H3PO4

Safety Information

TSA-94/30 WAS STABLE AGAINST CRYSTALLIZATION BELOW 50 °C

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.

Toxicity

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 21(SRC), determined from a structure estimation method(2), indicates that benzylsulfonic acid is expected to have very high mobility in soil(SRC). Volatilization of benzylsulfonic acid from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.0X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Benzylsulfonic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.4X10-6 mm Hg(SRC), determined from a fragment constant method(4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 21(SRC), determined from an estimation method(2), indicates that benzylsulfonic acid is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.0X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of -0.67(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), benzylsulfonic acid, which has an estimated vapor pressure of 3.4X10-6 mm Hg at 25 °C(SRC), determined from a fragment constant estimation method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase benzylsulfonic acid 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 65 hours(SRC), calculated from its rate constant of 6.0X10-12 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Particulate-phase benzylsulfonic acid may be removed from the air by wet and dry deposition(SRC).

The rate constant for the vapor-phase reaction of benzylsulfonic acid with photochemically-produced hydroxyl radicals has been estimated as 6.0X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 65 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1).

An estimated BCF of 3 was calculated for benzylsulfonic acid(SRC), using an estimated log Kow of -0.67(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.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for benzylsulfonic acid can be estimated to be 21(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzylsulfonic acid is expected to have very high mobility in soil.

The Henry's Law constant for benzylsulfonic acid is estimated as 1.0X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that benzylsulfonic acid is expected to be essentially nonvolatile from water surfaces(2). Benzylsulfonic acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces will not occur(SRC). Benzylsulfonic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.4X10-6 mm Hg(SRC), determined from a fragment constant method(3).

Drug Information

PHENYLTHIO & BENZYLTHIO RADICALS WERE OXIDIZED TO DIPHENYL & DIBENZYL DISULFIDE, BENZENESULFONIC ACID, BENZENEMETHANESULFONIC ACID & SULFURIC ACID AMONG OTHERS.|INEZIN WAS METABOLIZED TO TOLUENE-ALPHA-SULFONIC ACID BY MYCELIAL CELLS OF PIRICULARIA ORYZAE.

benzylsulfonic acid

toluene-alpha-sulphonic acid Use and Manufacturing

Methods of Manufacturing

PROBABLY BY REACTION OF HYDRAZINE HYDRATE WITH DIPHENYL METHIONATE, FOLLOWED BY DISTILLATION

Uses

RESEARCH CHEMICAL

Production

(1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.|(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.

Benzenemethanesulfonic acid: ACTIVE

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