ar-メチルベンゼンメタノール

log Kow = 1.58

1.580

1.59

0.978 at 72 °F (NTP, 1992) - Less dense than water; will float

0.978 g/cu cm at 22 °C

Needles from ligroin

White crystalline powder

1 to 10 mg/mL at 70.7 °F (NTP, 1992)

Very soluble in ether, ethanol

In water, 0.063 M (7,710 mg/L) at 25 °C

7710 mg/L @ 25 °C (exp)

Practically insoluble or insoluble in water

Soluble (in ethanol)

423 °F at 760 mmHg (NTP, 1992)

217 °C

217.00 to 218.00 °C. @ 760.00 mm Hg

138 to 142 °F (NTP, 1992)

61.5 °C

61 - 62 °C

0.01 [mmHg]

0.053 mm Hg at 25 °C

P-methyl benzyl alcohol appears as needles or off-white crystalline powder. (NTP, 1992)

White solid; [HSDB] White crystalline solid; [Alfa Aesar MSDS]

Solid

White solid; Weak floral aroma

Warning

H315 (16.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 287 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Chemical: Benzenemethanol, 4-methyl-

Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25413

Benzenemethanol, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

A severe skin irritant; [RTECS] A moderate to severe skin irritant in rabbits; No irritation or sensitization observed when tested at 4% in petrolatum on human volunteers; [HSDB] A skin and strong eye irritant; [Alfa Aesar MSDS] See Benzyl alcohol.

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

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.

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 32(SRC), determined from a water solubility of 7,710 mg/L(2) and a regression-derived equation(3), indicates that 4-methylbenzyl alcohol is expected to have very high mobility in soil(SRC). Volatilization of 4-methylbenzyl alcohol from moist soil surfaces is expected(SRC) given a Henry's Law constant of 1.1X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 0.53 mm Hg (4), and water solubility, 7,710 mg/L(2). 4-Methylbenzyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure. Biodegradation data were not available(SRC, 2008).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 32(SRC), determined from a water solubility of 7,710 mg/L(2) and a regression-derived equation(3), indicates that 4-methylbenzyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant estimated as 1.1X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 0.53 mm Hg(5), and water solubility, 7,710 mg/L(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 37 and 270 days, respectively(SRC). 4-Methylbenzyl alcohol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(SRC). According to a classification scheme(6), an estimated BCF of 0.7(SRC), from its log Kow of 1.58(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2008).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-methylbenzyl alcohol, which has a vapor pressure of 0.53 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 4-methylbenzyl alcohol 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 1.6 days(SRC), calculated from its rate constant of 9.7X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 4-Methylbenzyl alcohol is not expected to be susceptible to direct photolysis by sunlight(SRC), since benzyl alcohol, which has a similar structure, is not susceptible to direct photolysis by sunlight(4).

The volatile components of different meats of a commonly consumed crab (Charybdis feriatus) in Asia were measured; 4-methylbenzyl alcohol concentrations were 3.2 and 38.5 ug/kg dry weight in the body and carapace, respectively(1). 4-Methylbenzyl alcohol was not detected in the legs and claws(1).

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=589-18-4]

4-Methylbenzyl alcohol was measured at a concentration of 0.95 ug/cu m in the emissions of a municipal waste incineration plant(1). Concentrations of organic wastes were measured in observation wells after subsurface injection of organic wastes by a plant near Wilmington, NC; an average concentration of less than 0.5 mg/L DOC was reported for 4-methylbenzyl alcohol in 3 waste samples obtained during 1972-1973(2).

The Koc of 4-methylbenzyl alcohol is estimated as 32(SRC), using a water solubility of 7,710 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylbenzyl alcohol is expected to have very high mobility in soil.

An estimated BCF of 0.7 was calculated in fish for 4-methylbenzyl alcohol(SRC), using a log Kow of 1.58(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).

The Henry's Law constant for 4-methylbenzyl alcohol is estimated as 1.1X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.053 mm Hg(1), and water solubility, 7,710 mg/L(2). This Henry's Law constant indicates that 4-methylbenzyl alcohol is expected to volatilize from water surfaces(3). 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)(3) is estimated as 37 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)(3) is estimated as 270 days(SRC). 4-Methylbenzyl alcohol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Methylbenzyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

/LABORATORY ANIMALS: Acute Exposure/ p-Tolyl alcohol was moderately to severely irritating to intact or abraded rabbit skin when applied for 24 hr under occluded conditions.

/GENOTOXICITY/ p-Methyl benzyl alcohol was negative in Salmonella mutagenicity tests using strains TA 1535, TA 100, TA 97, TA 98 and TA 1537 with or without S-9 metabolic activation

/OTHER TOXICITY INFORMATION/ Pulmonary metabolites of p-xylene, p-methylbenzyl alcohol (PMBA) and 2,5-dimethylphenol (DMP), were employed to investigate the divergent effects of p-xylene on pulmonary and hepatic metabolism. Rats were given PMBA, DMP, or 10% cremophore (control) ip daily for 3 days, and effects on hepatic and pulmonary microsomal metabolism were determined 12 hours later. Both PMBA and DMP mimic the decrease in pulmonary benzyloxyresorufin-O-debenzylase activity previously reported for p-xylene, but neither could account for the potent induction of cytochrome P450 in the liver. Only PMBA had a consistent effect on P450IIB apoprotein levels, decreasing them in both the liver and lung. These data suggest that PMBA may have a significant role in the inhibition of pulmonary P450 caused by p-xylene.

The rate constant for the vapor-phase reaction of 4-methylbenzyl alcohol with photochemically-produced hydroxyl radicals has been estimated as 9.7X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1.6 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 4-Methylbenzyl alcohol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 4-Methylbenzyl alcohol is not expected to be susceptible to direct photolysis by sunlight(SRC), since benzyl alcohol, which has a similar structure, is not susceptible to direct photolysis by sunlight(3).

/OTHER TOXICITY INFORMATION/ Pulmonary metabolites of p-xylene, p-methylbenzyl alcohol (PMBA) and 2,5-dimethylphenol (DMP), were employed to investigate the divergent effects of p-xylene on pulmonary and hepatic metabolism. Rats were given PMBA, DMP, or 10% cremophore (control) ip daily for 3 days, and effects on hepatic and pulmonary microsomal metabolism were determined 12 hours later. Both PMBA and DMP mimic the decrease in pulmonary benzyloxyresorufin-O-debenzylase activity previously reported for p-xylene, but neither could account for the potent induction of cytochrome P450 in the liver. Only PMBA had a consistent effect on P450IIB apoprotein levels, decreasing them in both the liver and lung. These data suggest that PMBA may have a significant role in the inhibition of pulmonary P450 caused by p-xylene.

4-Methylbenzylalcohol is a known human metabolite of p-xylene.

A pulmonary metabolite of para-xylene. [ChemIDplus] Used in fragrances, flavoring, and as a laboratory reagent; [HSDB]

Perfumery, flavoring dyes, laboratory reagent.

It is used mainly in fragrances... .

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index