기본 정보
- 표준 SMILES
COC(C)=O- InChIKey
KXKVLQRXCPHEJC-UHFFFAOYSA-N- 분자식
- C3H6O2
- 평균 분자량
- 74.08 g/mol
- 단동위원소 질량
- 74.03677943
이름 및 식별자
- 우선 이름
- Methyl Acetate
- IUPAC
- methyl acetate
- 현지명
- 아세트산 메틸
- 영어명
- Methyl acetate
- 분자식
- C3H6O2
- 분자량
- 74.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
79-20-9- PubChem CID
- 6584
- DTXSID
DTXSID4021767- ChEMBL
CHEMBL14079- ChEBI
CHEBI:77700- UNII
- W684QT396F
- EC Number
- 201-185-2
- Nikkaji
- J1.965H
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 40
물리화학적 성질
- 녹는점
- -98 °C · -98 °C (lit.)
- 끓는 점
- 57 · 57-58 °C (lit.)
- 밀도
- 0.934 g/mL · 0.934 g/mL at 25 °C
- 증기 밀도
- 2.55 · 2.55 (vs air)
- 증기압
- 165 mm · 165 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.361(lit.)
- FEMA
- 2676 · 2676 | METHYL ACETATE
- 인화점
- 3.2 °F · 3.2 °F
- 저장 조건
- no restrictions.
- 용해도
- 250 g/L · 250g/L
- 물리적 상태
- 액체
- 색상
- 투명한 무색~약간 연한 노란색
- 수소이온지수(pH)
- 7 · 7
- 냄새
- 약간 매콤하고 달콤합니다. 향기로운.
- 생물학적 소스
- synthetic
- Odor Threshold
- 1.7 ppm · 1.7ppm
- 냄새 유형
- 미묘한
- 폭발한계
- 3.1 · 3.1-16%(V)
- 수용성
- 250 g/L · 250 g/L (20 ºC)
- 비열
- 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℃)
- 안정성
- 안정적인. 인화성이 매우 높음 - 공기와 쉽게 폭발성 혼합물을 형성합니다. 낮은 인화점과 넓은 폭발 한계에 유의하십시오. 강산화제, 강염기, 강산, 질산염과 호환되지 않습니다. 습기에 민감할 수 있습니다.
- 주요 응용
- 청소용품화장품환경향료 및 향음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 향수용제
- 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℃
- 표면장력
- 25.4 mN/m · 25.4mN/m at 298.15K
- NIST
- Acetic acid, methyl ester(79-20-9)
- EPA
- Methyl acetate (79-20-9)
화학적 성질
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.
안전 및 규제
안전 데이터
- 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
- 독성
- LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 2000 mg/kg
- HS 번호
- 2915 39 00
- risk_code
- 11-36-66-67
- hazard_code
- F,Xi
- safety_code
- 16-26-29-33
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-23405
- 자연 발화 온도
- 936 °F
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 79-20-9(Hazardous Substances Data)
화학 및 산업
응용 분야
용도메틸 아세테이트의 주요 용도는 래커 (lacquer)와 같은 속건성 도료의 용제입니다. 그것은 또한 셀룰로오스 접착제, 향수의 제조 및 염료 제조에서의 관계형 용매로서 용매로 사용됩니다. 이 제품의 주요 사용자 최종 시장은 페인트, 코팅, 화장품, 섬유 및 모터 산업입니다.
개요Methyl 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.
출처Reported 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.
용도Methyl acetate is used as a solvent forlacquers, resins, oils, and nitrocellulose; inpaint removers; as a flavoring agent; and inthe manufacture of artificial leather.
일반 설명Methyl acetate appears as a clear colorless liquid with a fragrant odor. Moderately toxic. Flash point 14 °F. Vapors heavier than air.
제조 방법
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: 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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