4'-메톡시아세토페논

log Kow = 1.74

1.74

Pleasant odor

Hawthorn odor

Similar to that of p-methylacetopheneone, suggestive of hawthorn and floral note of heliotrope

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Food

Crystalline solid

Colorless to pale-yellow fused solid

Yellowish-white crystals

Soluble in ethanol, diethyl ether, acetone and chloroform

Soluble in alcohol, ether, fixed oils

Soluble in fixed oils, propylene glycol; miscible with glycerin

insoluble in water; soluble in organic solvents, oils

very soluble (in ethanol)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1856 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Chemical: Ethanone, 1-(4-methoxyphenyl)-

Regulation (EC) No 1831/2003 (amended)

Ethanone, 1-(4-methoxyphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(4-methoxyphenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25223

4'-Methoxyacetophenone: Does not have an individual approval but may be used under an appropriate group standard

A moderate skin irritant; Causes increased pulse rate and blood pressure elevation in 39-week intermittent inhalation studies of humans; Causes somnolence, muscle weakness, irritability, other degenerative changes to brain and coverings, and weight loss in oral lethal-dose studies of mice; Causes changes in recordings from specific areas of CNS and effects on other transferases and plasma proteins (not involving coagulation) in repeated-dose inhalation studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Anisole and Acetophenone.

Acetanisole is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and b) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Avoid breathing dust. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: Offer surplus and non-recyclable solutions to a licensed disposal company; Contaminated packaging: Dispose of as unused product.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Avoid breathing dust. Environmental precautions: Do not let product enter drains.

Precautions for safe handling: Further processing of solid materials may result in the formation of combustible dusts. The potential for combustible dust formation should be taken into consideration before additional processing occurs. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.

Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

For more Preventive Measures (Complete) data for 4-Acetylanisole (6 total), please visit the HSDB record page.

Eye/face protection: Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection: Handle with gloves.

Body Protection: Complete suit protecting against chemicals. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.

Respiratory protection: For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator. For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

TERRESTRIAL FATE: Based on a classification scheme(1), a log Koc value of 2.43(2) indicates that 4-acetylanisole is expected to have moderate mobility in soil(SRC). Volatilization of 4-acetylanisole from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 8.9X10-6 atm-cu m/mole(3). 4-Acetylanisole is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.44X10-3 mm Hg at 25 °C(4). Biodegradation data in soil were not available(SRC, 2016).

AQUATIC FATE: Based on a classification scheme(1), a log Koc value of 2.43(2) indicates that 4-acetylanisole is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces may be expected(3) based upon an estimated Henry's Law constant of 8.9X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 3 days and 42 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 1.74(6) and a regression-derived equation(4), suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation data in water were not available(SRC, 2016). An environmental half-life of 12 days was measured in sunlit surface waters at 40 °C(7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-acetylanisole, which has a vapor pressure of 6.44X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 4-acetylanisole 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 day(SRC), calculated from its rate constant of 2.05X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 4-Acetylanisole contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). An environmental half-life of 12 days was measured in sunlit surface waters at 40 °C(5).

IDENTIFICATION AND USE: 4-Acetylanisole is a colorless to pale-yellow fused solid. It is used in perfumery (for floral odors), and flavoring. HUMAN EXPOSURE AND TOXICITY: Human systemic effects by inhalation: pulse rate increase without fall in blood pressure and blood pressure elevation. ANIMAL STUDIES: In an experiment using isolated bovine eyes, 4-acetylanisole did not show an ocular severe irritant or corrosive potential.

4-Acetylanisole occurs naturally in European cranberry (Vaccinium oxycoccus), guava fruit (Psidium guajava), Vitis labrusca, tomato, anise (Pimpinella anisum), mentha oils, cloudberry (Rubus chamaemorus), Illicium verum and black chokeberry (Aronia melanocarpa ell.)(1).

Results of solid phase micro-extraction coupled to gas chromatography and mass spectrometry analyses, accomplished on sporophores of 11 species of truffles and false truffles, are reported. Volatile organic compounds (VOCs) found in Gautieria morchelliformis were dimethyl sulphide, 1,3-octadiene, 3,7-dimethyl-1,6-octadien-3-ol, amorphadiene, isoledene and cis-muurola-3,5-diene. In Hymenogaster luteus var. luteus, presence of 1,3-octadiene, 1-octen-3-ol, 3-octanone, 3-octanol and 4-acetylanisole was revealed. Two VOCs, 4-acetylanisole and beta-farnesene, constituted aroma of Hymenogaster olivaceus. Melanogaster broomeanus exhibited as components of its aroma 2-methyl-1,3-butadiene, 2-methylpropanal, 2-methylpropanol, isobutyl acetate, 3,7-dimethyl-1,6-octadien-3-ol, 3-octanone and beta-curcumene. VOC profile of Octavianina asterosperma was characterised by the presence of dimethyl sulphide, ethyl 2-methylpropanoate, methyl 2-methylbutanoate and 3-octanone. Tuber rufum var. rufum and Pachyphloeus conglomeratus showed the presence of dimethyl sulphide only.

EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPA; ICSS Dashboard Application; Available from, as of July 7, 2016: http://actor.epa.gov/dashboard/]

A log Koc of 2.43 for 4-acetylanisole was measured in a black agricultural soil (silty loam, pH 5.86, 27.2% clay content, 4.78% soil organic matter, 4.01% water content) obtained from Northeastern China(1). This corresponds to a Koc of 270(SRC). According to a classification scheme(2), this Koc value suggests that 4-acetylanisole is expected to have moderate mobility in soil.

4-Acetylanisole occurs naturally in European cranberry (Vaccinium oxycoccus), guava fruit (Psidium guajava), Vitis labrusca, tomato, anise (Pimpinella anisum), mentha oils, cloudberry (Rubus chamaemorus), Illicium verum and black chokeberry (Aronia melanocarpa ell.).

An estimated BCF of 3 was calculated in fish for 4-acetylanisole (SRC), using a log Kow of 1.74(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-acetylanisole is estimated as 8.9X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylanisole 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 3 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 42 days(SRC). 4-Acetylanisole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Acetylanisole is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.44X10-3 mm Hg at 25 °C(3).

Acetanisole is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and b) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Used as flavoring agent or adjuvant; [FDA]

Reported uses (ppm):

Useful in vanilla, nut, tobacco and butter flavors.

Perfumery (for floral odors), flavoring.

From anisole and acetyl chloride in the presence of aluminum chloride and carbon disulfide; from anisole and acetic acid in the presence of boron trifluoride.

It is prepared by Friedel-Crafts acetylation of anisole.

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Ethanone, 1-(4-methoxyphenyl)-: ACTIVE