3-Methylbenzenethiol

124.2

124.20

1851959

203-578-4

0TK859NX9S

81219

DTXSID1059361

Liquid

29309090

1

2.98

Clear colorless to light yellow Liquid

1.044 g/cm³ @ Temp: 20 °C

<-20 °C

195 °C

163 °F

n 20/D 1.5762(lit.)

Insol in water; sol in alcohol, ether

0.803 mm Hg @ 25 deg C

Abdominal cavity-mouse LD50: 50 mg/kg

Flammable; emit toxic sulfur oxide gas when burning

pKa= 6.66 @ 25 °C

III

6.1

UN2810

3

37/38-41-36/37/38-20/21/22

26-39-36/37/39

XT8700000

Xi,Xn

The warehouse is ventilated, low-temperature and dry; stored separately from oxidants.

Harmful/Irritant/Stench

Corrosive to skin and cornea

P261-P273-P280-P305 + P351 + P338

H315-H318-H335-H400

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|H302 (12.24%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

highly toxic

LD50 Mouse ip 50 mg/kg

3-Thiocresol's possible production as an antiseptic(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 430(SRC), determined from a structure estimation method(2), indicates that 3-thiocresol is expected to have moderate mobility in soil(SRC). The pKa of 3-thiocresol is 6.66(3) indicating that the anionic form of 3-thiocresol will exist in slightly acidic to basic soils and anions are expected to have higher mobility than the neutral species(SRC). Volatilization of 3-thiocresol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.6X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(4). However, 3-thiocresol in the anionic form will not volatilize. 3-Thiocresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.803 mm Hg(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 430(SRC), determined from an estimation method(2), indicates that 3-thiocresol is expected to slightly adsorb to suspended solids and sediment(SRC). Volatilization of the neutral species from water surfaces is expected(3) based upon an estimated Henry's Law constant of 3.6X10-4 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 3 hrs and 5.2 days, respectively(SRC). A pKa of 6.66(5) indicates that the anionic form of 3-thiocresol will exist in slightly acidic to basic waters and the anionic form will not volatilize from water(SRC). According to a classification scheme(6), an estimated BCF of 62(SRC), from an estimated log Kow of 3.2(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is moderate.|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-thiocresol, which has a vapor pressure of 0.803 mm Hg at 25 °C(2), is expected to exist solely in the vapor-phase in the ambient atmosphere. Vapor- phase 3-thiocresol 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 13 hrs(SRC), calculated from its rate constant of 3.0X10-11 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Although thiocresols may be susceptible to photolysis, sufficient experimental data are not available to predict the relative importance of their photolysis in the environment(SRC).

The rate constant for the vapor-phase reaction of 3-thiocresol with photochemically-produced hydroxyl radicals has been estimated as 3.0X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of approximately 13 hrs at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 3-Thiocresol is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2). Although thiocresols may be susceptible to photolysis, sufficient experimental data are not available to predict the relative importance of their photolysis in the environment(SRC).

An estimated BCF of 62 was calculated for 3-thiocresol(SRC), using an estimated log Kow of 3.2(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 3-thiocresol can be estimated to be 430(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-thiocresol is expected to have moderate mobility in soil. The pKa of 3-thiocresol is 6.66(3) indicating that the anionic form of 3-thiocresol will exist in slightly acidic to basic soils and anions are expected to have higher mobility than the neutral species(SRC). Volatilization from moist soil surfaces is not expected to be an important fate process for the anionic species.

The Henry's Law constant for 3-thiocresol is estimated as 3.6X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 3-thiocresol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life of the neutral species from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hrs(SRC). The volatilization half-life of the neutral species from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5.2 days(SRC). A pKa of 6.66(3) for 3-thiocresol indicates that the anionic form of 3-thiocresol will exist in slightly acidic to basic waters and the anionic form is not expected to volatilize from water(SRC). 3-Thiocresol's Henry's Law constant(1) indicates that volatilization of the neutral species from moist soil surfaces may occur(SRC). However, 3-thiocresol in the anionic form is not expected to volatilize. 3-Thiocresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.803 mm Hg(4).

Occupational exposure to 3-thiocresol may occur through inhalation and dermal contact with this compound at workplaces where 3-thiocresol is produced. (SRC)

Antiseptic; dermatologic agent /Unspecified isomer/|ANTISEPTIC; DERMATOLOGIC AGENT (UNSPECIFIED ISOMER)-NO EVIDENCE OF CURRENT USE

Benzenethiol, 3-methyl-: ACTIVE