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酢酸メチル

Methyl Acetate

HCID 6584
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
79-20-9
標準SMILES
COC(C)=O
InChIKey
KXKVLQRXCPHEJC-UHFFFAOYSA-N
分子式
C3H6O2
平均分子量
74.08 g/mol
単同位体質量
74.03677943

概要

Methyl acetate appears as a clear colorless liquid with a fragrant odor. Moderately toxic. Flash point 14 °F. Vapors heavier than air.

名称と識別子

優先名称
Methyl Acetate
IUPAC
methyl acetate
現地名
酢酸メチル
英語名
Methyl acetate
分子式
C3H6O2
分子量
74.08

名称と別名

METHYL ACETATE79-20-9DevotonTeretonMethyl ethanoateAcetic acid, methyl esterAcetic acid methyl esterMethylacetatMethylacetaatAcetate de methyleMethyl acetic esterOctan metylu
名称をさらに表示
酢酸メチル [標準物質]エタン酸メチルデボトンメチルアセタートテレトンメチル=アセタート酢酸メチルエステル酢酸メチル [GC用標準物質]酢酸メチル標準品酢酸メチル REAGENTPLUS,99%酢酸メチル酢酸メチルエステル標準品CH3COOCH3methylethanoateFEMA 2676methyle(acetatede)Metile
Metile (acetato di)Methyle (acetate de)Methylester kiseliny octoveEthyl ester of monoacetic acidFEMA No. 2676DTXSID4021767Methyl ester of acetic acidW684QT396F

データベース識別子

CAS
79-20-9
PubChem CID
6584
DTXSID
DTXSID4021767
ChEMBL
CHEMBL14079
ChEBI
CHEBI:77700
UNII
W684QT396F
EC Number
201-185-2
Nikkaji
J1.965H

物性

構造計算による物性

XLogP
0.2
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
5
形式電荷
0
複雑度
40.2

実験および物理化学的性質

Chemical Classes · 2 件

Flammable agents - 3rd degree

Volatile Organic Compound (VOC)

SolventsSolvents -> Esters (<C12)
Cosmetics · 2 件

Cosmetic ingredients (Methyl Acetate) -> CIR (Cosmetic Ingredient Review)

Solvent

SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (Methyl acetate) -> IFRA transparency List
LogP · 4 件

log Kow = 0.18

0.18

0.18

0.18

Odor · 2 件

Pleasant odor

Fragrant, fruity odor

TasteFLEETING, FRUITY TASTE
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 6 件

0.927 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9342 g/cu cm at 20 °C

Relative density (water = 1): 0.93

0.927-0.932

0.93

0.92438 @25 °C

Flavoring AgentsEU Flavoring substances
Viscosity0.364 mPa.s at 25 °C

物理化学的性質

融点
-98 °C · -98 °C (lit.)
沸点
57 · 57-58 °C (lit.)
比重(密度)
0.934 g/mL · 0.934 g/mL at 25 °C
蒸気密度
2.55 · 2.55 (vs air)
蒸気圧
165 mm · 165 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.361(lit.)
FEMA
2676 · 2676 | METHYL ACETATE
闪点
3.2 °F · 3.2 °F
貯蔵温度
no restrictions.
溶解性
250 g/リットル · 250g/リットル
外見
解決
色
無色透明~やや淡黄色
PH
7 · 7
臭い (Odor)
やや刺激的で甘い。香ばしい。
由来生物
synthetic
臭気閾値(Odor Threshold)
1.7 ppm · 1.7ppm
においのタイプ
エーテル的な
爆発限界(explosive limit)
3.1 · 3.1-16%(V)
水溶解度
250 g/L · 250g/L(20℃)
比熱容量
1.92 J/ · Cp(liquid): 1.92 J/(g·K); Cp(gas): 1.16 J/(g·K), at 25℃
JECFA Number
125 · 125
Merck
14 · 14,6008
BRN
1736662 · 1736662
Henry's Law Constant
0.9 at · 0.90 at 20.00 °C, 1.56 at 30.00 °C (headspace-GC, Hovorka et al., 2002)
Dielectric constant
7.3 · 7.3(20℃)
安定性
安定。非常に可燃性 - 空気と爆発性混合物を容易に形成します。引火点が低く、爆発限界が広いことに注意してください。強酸化剤、強塩基、強酸、硝酸塩とは相容れない。湿気に敏感な場合があります。
主な用途
洗浄剤化粧品環境フレーバーそして香料食品および飲料パーソナルケア
化粧品成分の機能
香料溶媒
InChI
1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChIKey
KXKVLQRXCPHEJC-UHFFFAOYSA-N
SMILES
COC(C)=O
LogP
0.18 at · 0.18 at 20℃
表面張力
25.4 mN/m · 25.4mN/m at 298.15K
CAS データベース
79 · 79-20-9(CAS DataBase Reference)
NISTの化学物質情報
Acetic acid, methyl ester(79-20-9)
EPAの化学物質情報
Methyl acetate (79-20-9)
化学的性質 · 1 件

化学的特性Methyl acetate has a pleasant, fruity odor and slightly bitter flavor. May be prepared by boiling acetic acid and methanol in the presence of acid catalysts; or by heating methanol with an excess carbon monoxide under pressure in the presence of a catalyst (phosphoric acid, cobalt salts). Methyl acetate occurs naturally in low concentrations in mint, fungus,grapes, banana, coffee (Furia and Bellanca, 1975) and is a volatile constituent of nectarines (Takeoka et al., 1988). It is also present in some distilled alcoholic beverages (Shimoda et al., 1993). It is produced industrially via the carbonylation of methanol as a byproduct of acetic acid production or by esterification of acetic acid with methanol in the presence of strong acid such as sulfuric acid.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.5% (14 of 2686) of reports.

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Regulatory Information · 6 件

Chemical: Acetic acid, methyl ester

Regulation (EC) No 178/2002 (amended)

Acetic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, methyl ester 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)

REACH registered substance: Methyl acetate (EC: 201-185-2)

Acetic acid, methyl ester: HSNO Approval: HSR001188 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Acetic acid, methyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 3 件

Behavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting.

Fire PotentialDangerous fire hazard when exposed to heat, flame, or oxidizers.
Health Hazards · 2 件

(Very similar to those of methyl alcohol, which constitutes 20% of commercial grade.) Inhalation causes headache, fatigue, and drowsiness; high concentrations can produce central nervous system depression and optic nerve damage. Liquid irritates eyes and may cause defatting and cracking of skin. Ingestion causes headache, dizziness, drowsiness, fatigue; may cause severe eye damage. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 件

In the body, methyl acetate is hydrolyzed into methanol and acetic acid. It causes narcosis in animals exposed to high concentrations. TLV Basis is headache, dizziness, nausea, and damage to the ganglion cells in the retina; Main concern is conversion to methanol, which can cause permanent blindness; Eye damage has been reported after chronic exposure to methanol at 1200-8000 ppm; [ACGIH] Ethyl acetate is in the list of Some volatile substances which may be abused by inhalation published on the web site of the U.N. International Drug Control Programme, indicating its potential to cause narcosis in workers. [Reference #1] An eye and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression and effects on the optic nerve leading to impaired vision; [ICSC] See Methanol.

DOT ID and Guide · 2 件

1231 129

1231 129

FDA Requirements · 2 件

Methyl acetate 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 2) 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.

Methyl acetate is an indirect food additive for use only as a component of adhesives.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EC ClassificationSymbol: F, Xi; R: 11-36-66-67; S: (2)-16-26-29-33
UN ClassificationUN Hazard Class: 3; UN Pack Group: II

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Use alcohol-resistant foam, foam, powder, carbon dioxide, fine water spray. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Rinse contaminated clothes (fire hazard) with plenty of water. Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 件

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.

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants, strong acids and strong bases.
Firefighting Hazards · 2 件

Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire.

Special hazards arising from the substance or mixture: Carbon oxides

Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

100.0 [ppm]

Fire Fighting Procedures · 5 件

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

Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.

Use water spray to cool unopened containers.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.

If fire becomes uncontrollable or container is exposed to direct flame, consider evacuation of one-third mile radius.

Storage Conditions · 2 件

Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. ... Methyl acetate must be stored to avoid contact with strong oxidizers (such as chlorine, bromine, and fluorine) and strong acids (such as hydrochloric, sulfuric, and nitric), since violent reactions occur. Store in tightly closed containers in a cool, well-ventilated area away from strong alkalis and nitrates. Sources of ignition, such as smoking and open flames, are prohibited where methyl acetate is used, handled or stored in a manner that could create a potential fire or explosion hazard. Use only nonsparking tools and equipment, especially when opening and closing containers of methyl acetate.

Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Moisture sensitive.

Cleanup Methods · 2 件

Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Absorb liquids in vermiculite, dry sand, earth, peat, carbon or a similar materail and deposit in sealed containers. Keep this chemical out of a confined space, such as a sewer, because of the possibility of an explosion.

Accidental Release Measures: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Disposal Methods · 5 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant life; and conformance with environmental and public health regulations.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equippwith an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

Methyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.

For more Disposal Methods (Complete) data for METHYL ACETATE (7 total), please visit the HSDB record page.

毒性情報

Toxicological InformationRanking: 387 (total points: 566.62)
Body Burden · 1 件

A survey was conducted in the second half of a work week on 39 male workers who were occupationally exposed to styrene in combination with methanol and methyl acetate during the production of plastic buttons. Time-weighted average exposure during an 8-h shift to styrene (Sty-A) and methyl acetate was monitored by carbon cloth-equipped personal samplers and to methanol by water-equipped ones. Urine samples were collected near the end of the shift and analyzed for mandelic (MA-U) and phenylglyoxylic acids (PhGA-U) by HPLC. Geometric mean styrene concentration was 12.4 ppm (micrograms/g) with the maximum of 46 ppm, whereas the values for methanol and methyl acetate in combination were 23.5 ppm and 229 ppm, respectively. The relationship of MA-U and PhGA-U with Sty-A was examined by linear regression analysis. The equations for the regression lines were compared with the results from a previous survey (Ikeda et al. 1983) in which workers were exposed only to styrene, and the methods employed were identical with that in the present study. The comparison showed no evidence to suggest that styrene metabolism is suppressed by coexposure to methanol and methyl acetate at low concentrations below the current occupational exposure limit of 200 ppm.

Target OrgansEyes, skin, respiratory system, central nervous system
Ecotoxicity Values · 4 件

LC50; Species: Pimephales promelas (fathead minnows); Concentration: 399 mg/L for 96 hr (confidence limit 378-422 mg/L) /Conditions of bioassay not specified/

EC50; Species: Pimephales promelas (fathead minnows); Concentration: 399 mg/L for 96 hr (confidence limit 378-422 mg/L); Effect: affected fish lost schooling behavior, swam near the surface, and had increased respiration. Equilibrium loss was not observed prior to death. /Conditions of bioassay not specified/

LC50; Species: Pimephales promelas (fathead minnow); Concentration: 320 mg/L for 96 hr (confidence limit: 295-348 mg/L) /Conditions of bioassay not specified/

EC50; Species: Pimephales promelas (fathead minnow); Concentration: 320 mg/L for 96 hr (confidence limit: 295-348 mg/L); Effect: Hemorrhaging occurred along the flesh line above swim bladder in stressed and dead fish. Affected fish lost equilibrium prior to death. /Conditions of bioassay not specified/

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 9.1(SRC), determined from a log Kow of 0.18(2) and a regression-derived equation(3), indicates that methyl acetate is expected to have very high mobility in soil(SRC). Volatilization of methyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given a measured Henry's Law constant of 1.15X10-4 atm-cu m/mole(4). Methyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon an measured vapor pressure of 216.2 mm Hg at 25 °C(5). Methyl acetate achieved >70% after 28 days in an OECD 301D Closed bottle test(6), suggesting that biodegradation is an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 9.1(SRC), determined from a log Kow of 0.18(2) and a regression-derived equation(3), indicates that methyl acetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a measured Henry's Law constant of 1.15X10-4 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 5 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Methyl acetate achieved >70% after 28 days in an OECD 301D Closed bottle test(7), suggesting that biodegradation is an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl acetate, which has a vapor pressure of 216.2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl acetate 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 41 days(SRC), calculated from its rate constant of 2.6X10-13 cu cm/molecule-sec at 25 °C(3). Methyl acetate 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).

Food Survey Values · 1 件

Methyl acetate was reported in fresh grapefruit juice at a concentration of 0.026 ppm(1). Methyl acetate was detected in the emissions of corn silage, alfalfa silage, cereal silage and almond shells at concentrations of 3.14, 6.15, 0.29 and 0.10 nL/L(2). Methyl acetate was detected, not quantified, as a volatile component in floured chickpea seed(3), chicken meat(4), Cabernet Sauvignon wine from Napa Valley, CA(5). Methyl acetate is reported as found in coffee(6).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation of its vapour.

inhalation, ingestion, skin and/or eye contact

Milk ConcentrationsMethyl acetate was detected, not quantified in cow milk(1).
Toxicity Summary · 2 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

IDENTIFICATION AND USE: Methyl Acetate is a colorless, volatile liquid, which is used as a solvent for nitrocellulose, acetylcellulose; in many resins and oils and in the manufacture of artificial leather. It is also used in paint remover compounds, lacquer solvent, intermediate, and synthetic flavoring. HUMAN EXPOSURE AND TOXICITY: The vapor is mild irritant to the eyes and respiratory system and at high concentrations can cause CNS depression. Accidental human exposure to methyl acetate vapor for 45 minutes resulted in severe headache and somnolence lasting about 6 hr. In another case report, a teenage girl experienced acute blindness following inhalation of vapor from lacquer thinner. It was determined that methanol and methyl acetate vapors caused optic neuropathy that led to the blindness. At high concentrations, methyl acetate may cause mild to severe methanol intoxication from ingestion, inhalation, or possible skin contact. ANIMAL STUDIES: Inhalation exposure of 4 rats to a saturated atmosphere of methyl acetate (in 25 L bottles) induced narcotic effects in the animals after 10 to 20 min. After decapitation at this time-point concentrations of 70-80 mg methyl acetate/100 mL were found in the blood. Similar experiments with inhalation exposure to methanol showed that the narcotic effects are mainly induced by methyl acetate. Cats exposed to 10,560 ppm methyl acetate vapor suffered from irritation of the eyes and salivation. Rats were exposed (at 10,000 ppm in ambient air) to a thinner containing methyl acetate (12.6%) in a plastic container for 10 min at 10 min intervals (2 times/day, 6 days/wk, for 12-14 mo). Body weight gain was suppressed compared to controls. Electron microscopic exam of slices of the cerebral cortex showed increased abnormal cristae of mitochondria in the neurons and axons and increased number of endoplasmic reticula and ribosomes and dilated Golgi apparatus in the neurons. Increased lysosomes and lipid materials were observed in neurons, suggesting a degenerative process. Methyl acetate did not produce an increase in revertants in Salmonella typhimurium strains TA 98, TA 100, TA 1535, TA 1537 and TA 1538, and Escherichia coli WP2uvrA, in the absence or presence of metabolic activation. Methyl acetate was tested up to 5,000 ug/plate. Negative results were obtained in a study using Salmonella typhimurium strains TA97, TA98, TA100, TA1535 and TA1538 with or without metabolic activation system, when tested up to 10,000 ug/plate. This study employed a 20-minute preincubation period. Biotransformation of methyl acetate takes place by rapid hydrolysis of the compound into methanol and acetic acid by the nonspecific carboxylic esterases in the blood and tissues.

Plant Concentrations · 2 件

Methyl acetate was reported in the volatile fraction from Kiwi Fruit flowers (Actinidia chinensis) at 0.57% of the total area(1).

Plants with methyl acetate(1).[Table#284]

Signs and Symptoms · 5 件

Sore throat. Cough. Headache. Drowsiness.

Redness. Dry skin.

Redness. Pain.

Abdominal pain. Nausea. Vomiting. Weakness. Further see Inhalation.

irritation eyes, skin, nose, throat; headache, drowsiness; optic nerve atrophy; chest tightness; In Animals: narcosis

法規制情報

FDA Requirements · 2 件

Methyl acetate 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 2) 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.

Methyl acetate is an indirect food additive for use only as a component of adhesives.

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94; Reporting date: 3/28/94.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Methyl acetate is included on this list. Effective date: 1/26/94; Sunset date: 6/30/98.

Atmospheric Standards · 1 件

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Methyl acetate is produced, as an intermediate or final product, by process units covered under this subpart.

State Drinking Water Guidelines(FL) FLORIDA 5,000 ug/L

安全データ

OEB
A
OEL
TWA: 200 ppm (610 mg/m3), STEL: 250 ppm (760 mg/m3)
wgk
1
IDLA
3,100 ppm [10% LEL]
tsca
TSCA listed
rtecs
AI9100000
ridadr
UN 1231
毒性
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code
2915 39 00
risk_code
11-36-66-67
化審法
(2)-725
安衛法
有機則 第二種有機溶剤等
消防法
危険物第4類第一石油類(非水溶性)
hazard_code
F,Xi
safety_code
16-26-29-33
hazard_class
3
packing_group
II
自然発火温度
936 °F
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2STOT SE 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
79-20-9(Hazardous Substances Data)

化学と産業

薬理情報

Biological Half-Life · 2 件

For the in vitro hydrolysis of methyl acetate in blood of rats ... /a/ half-life of 2-3 hr ... was determined indicating a ... rapid hydrolysis in the blood. ...

For the in vitro hydrolysis of methyl acetate in blood of ... humans, /a/ half-life of about 4 hr ... was determined. ...

Metabolism/Metabolites · 3 件

After oral exposure methyl acetate is partially cleaved in the gastrointestinal tract into methanol and acetic acid by esterases of the gastric mucosa. The ester is furthermore hydrolysed by esterases of the blood. Similarly, after inhalation exposure of rats to a concentration of 2,000 ppm (6,040 mg/cu m) blood concentrations less than 4.6 mg/L were determined. ... Inhalation exposure at saturation conditions results in the occurrence of methyl acetate in blood.

... Biotransformation of methyl acetate takes place by rapid hydrolysis of the compound into methanol and acetic acid by the nonspecific carboxylic esterases in the blood and tissues. ...

... With human subjects /it has been shown/ that metabolic hydrolysis of methyl acetate to methanol and acetic acid proceeds directly proportional to exposure level.

Absorption, Distribution and Excretion · 2 件

After oral administration to rabbits, methyl acetate was hydrolysed to methanol and acetic acid. The animals received a dosage of 20 mL/kg bw of a 5% aqueous solution (1,000 mg/kg). Methanol concentration was analysed in the blood from 30 minutes after application up to 5 hours. Methyl acetate could not be detected in any sample whereas methanol was found in blood and urine already after 30 min. Peak concentrations of methanol in the blood were measured after 3 hours and amounted to 0.573 mg/mL. Following oral application methyl acetate is hydrolysed in the gut. Therefore, in blood and urine only methanol and acetic acid were found, not methyl acetate. Similarly, after inhalation exposure in blood and urine only the products of hydrolysis were detectable. ...

Methyl acetate is readily absorbed /in/ the lungs.

Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

CIR ingredient: Methyl Acetate

Used as a flavoring agent and as a solvent in paint removers and lacquers; [ACGIH]

Painting (Solvents) [Category: Paint]

Solvent for nitrocellulose, acetylcellulose, and many resins and oils; manufacture artificial leather.

... Catalyst for the biodegradation of organic materials, and in agriculture to destroy cocklebur seeds selectively.

Flavoring agent useful in rum, brandy, whiskey; lift for fruit flavors.

ImpuritiesAcetic acid up to 0.1%
U.S. Imports(1983) 2.34X10+6 g
U.S. Production · 6 件

2023: 1,000,000,000 - <2,500,000,000 lb

(1972) 9.9X10+8 GRAMS (SALES)

Cellulosic solvent, 40%; vinyl solvent, 40%; Miscellaneous, 20% (1979)

Acetic acid, methyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Acetic acid, methyl ester. Aggregated National Production Volume: 1 billion pounds and greater.

For more U.S. Production (Complete) data for METHYL ACETATE (6 total), please visit the HSDB record page.

Consumer UsesSolvent
Industry UsesProcessing aids not otherwise specified
Methods of Manufacturing · 4 件

By heating methanol and acetic acid in the presence of sulfuric acid and distilling.

... Manufacture of high purity methyl acetate ... in a countercurrent reactive distillation column ....

Methanol + carbon monoxide (BASF/Monsanto carbonylation processes; byproduct of acetic acid production)

Methanol + carbon monoxide (BP acetyls process; byproduct of acetic acid/acetic anhydride production)

Formulations/Preparations · 3 件

It is generally mixed with acetone & methyl alcohol /when used as solvent/.

Grade: Technical; CP /Chemical Pure: a grade designation signifying a minimum of impurities; but not 100% purity/

Commonly sold in combination with methanol in an 80/20 methyl acetate/methanol by-product blend

Household ProductsInformation on 61 consumer products that contain Methyl acetate in the following categories is provided:
Use Classification · 6 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Solvent

General Manufacturing Information · 3 件

Plastics Product Manufacturing

Acetic acid, methyl ester: ACTIVE

IT IS A MAJOR COMPONENT OF METHYL ACETONE, A MIXED SOLVENT DERIVED FROM DISTILLATION OF WOOD... .

応用分野 · 8 件

解説酢酸メチル メタノールと酢酸とを硫酸触媒の存在下で加熱すると得られる.果実の芳香をもつ無色の液体.融点-98 ℃,沸点56.9 ℃.0.9342.1.3614.引火点-10 ℃.水に可溶.エタノール(エチルアルコール)、エーテルなどの有機溶媒と任意の割合で混じり合うほか、水にもかなり溶ける。合成樹脂、ペイント、香料などの溶剤としての用途をもつ。

用途溶剤(香料、ニトロセルロース、合成樹脂、塗料他)

用途環境ホルモン物質であるアルキルフェノール類およびビスフェノールAを分析する際に、抽出溶媒として用いられます。

用途合成反応用溶剤、塗料?印刷インキ用溶剤、マニキュア、ラッカー、香料の溶剤

説明Methyl acetate, also known as MeOAc , acetic acid methyl ester or methyl ethanoate, is a carboxylate ester with the formula CH3COOCH3. It is a flammable liquid with a characteristically pleasant smell reminiscent of some glues and nail polish removers. Methyl acetate is occasionally used as a solvent, being weakly polar and lipophilic, but its close relative ethyl acetate is a more common solvent being less toxic and less soluble in water. Methyl acetate has a solubility of 25% in water at room temperature. At elevated temperature its solubility in water is much higher. Methyl acetate is not stable in the presence of strong aqueous bases or aqueous acids. Methyl acetate is VOC exempt.

天然物の起源Reported found in apple, banana, sweet and sour cherry, tangerine juice, black currants, guava, grapes, melon, peach, pear, pineapple, strawberry, cabbage, tomato, clove bud, peppermint oil, vinegar, bread, cheeses, butter, yogurt, beef, beer, cognac, rum, whiskies, cider, sherry, grape wines, cocoa, coffee, filbert, peanut, honey, soybean, olive, passion fruit, fruit brandies, fig, gin, kiwifruit, clary sage, arrack and nectarine.

使用Methyl acetate is used as a solvent forlacquers, resins, oils, and nitrocellulose; inpaint removers; as a flavoring agent; and inthe manufacture of artificial leather.

一般的な説明Methyl acetate appears as a clear colorless liquid with a fragrant odor. Moderately toxic. Flash point 14 °F. Vapors heavier than air.

調製方法 · 2 件

製造方法Methyl acetate is produced industrially via the carbonylation of methanol as a byproduct of the production of acetic acid.Methyl acetate also arises by esterification of acetic acid with methanol in the presence of strong acids such as sulfuric acid, this production process is famous because of Eastman Kodak's intensified process using a reactive distillation. 2–1-Reactions In the presence of strong bases such as sodium hydroxide or strong acids such as hydrochloric acid or sulfuric acid it is hydrolyzed back into methanol and acetic acid, especially at elevated temperature. The conversion of methyl acetate back into its components, by an acid , is a first-order reaction with respect to the ester. The reaction of methyl acetate and a base, for example sodium hydroxide, is a second-order reaction with respect to both reactants. 3-Applications A major use of methyl acetate is as a volatile low toxicity solvent in glues, paints, and nail polish removers. Acetic anhydride is produced by carbonylation of methyl acetate in a process that was inspired by the Monsanto acetic acid synthesis.

純化方法Methanol in methyl acetate can be detected by measuring its solubility in water. At 20o, the solubility of methyl acetate in water is ca 35g per 100mL, but 1% MeOH confers complete miscibility. Methanol can be removed by conversion to methyl acetate, by refluxing for 6hours with acetic anhydride (85mL/L), followed by fractional distillation. Acidic impurities can be removed by shaking with anhydrous K2CO3 and distilling. An alternative treatment is with acetyl chloride, followed by washing with concentrated NaCl and drying with CaO or MgSO4. (Solid CaCl2 cannot be used because it forms a crystalline addition compound.) Distillation from copper stearate destroys peroxides. Free alcohol or acid can be eliminated from methyl acetate by shaking with strong aqueous Na2CO3 or K2CO3 (three times), then with aqueous 50% CaCl2 (three times), saturated aqueous NaCl (twice), drying with K2CO3 and distilling it from P2O5. [Beilstein 2 IV 122.]

上流・下流製品情報

上流原料

Dehydrolyzing agent酢酸メタノール

下流製品

2-(2,2-ジクロロビニル)-3,3-ジメチルシクロプロパン-1-カルボン酸エチル3-(2-チエニル)アクリル酸メチルβ-オキソ-3-ピリジンプロパン酸メチルクロピドグレルスリンダクdimethyl trans,trans-chrysanthemumdicarboxylate2,2-ジメチル-3-(2-メチル-1-プロペニル)シクロプロパン-1-カルボン酸メチルロルノキシカム3-(2,2-ジクロロエテニル)-2,2-ジメチル-シクロプロパンカルボン酸メチルミソプロストールrac-(2R*)-2-[(2,6-ジメチルフェニル)(フェニルアセチル)アミノ]プロパン酸メチル2,2-ジメチル-3-(2-メチル-1-プロペニル)シクロプロパン カルボン酸 エチル3,3-ジメトキシプロピオン酸メチルジメチルアセタール2-メチル-2-イミダゾリンメチルホスホンサンイソプロピルメチルエステルcis-10-Pentadecenoic acid methyl ester (C15:1)シクロプロパンカルボン酸メチル
補足説明 · 2 件

定義本品は、酢酸とメタノールのエステルであり、次の化学式で表される。

定義ChEBI: Methyl acetate is an acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57°C) colourless, flammable liquid, it is used as a solvent for many resins and oils. It has a role as a polar aprotic solvent, a fragrance and an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. It is an acetate ester, a methyl ester and a volatile organic compound.

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