포름산메틸
포름산메틸 · 포름산,메틸에스테르 · 메틸포메이트 · 메틸메타노에이트 · 메틸포르메이트 · 포름산 메틸 · 메탄산, 메틸 에스터 · 메틸 메타노에이트
식별자 및 물리적 특성
| CAS No. | 107-31-3 |
|---|---|
| 분자식 | C2H4O2 |
| 평균 분자량 | 60.05 g/mol |
| 단동위원소 질량 | 60.02112937 g/mol |
| SMILES | COC=O |
| InChIKey | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| PubChem CID | 7865 |
| ChEMBL | CHEMBL295026 |
| ChEBI | CHEBI:77699 |
| EC No. | 203-481-7 |
| DTXSID | DTXSID5025609 |
| 현지명 | 포름산메틸 |
화학 및 물리적 성질
| XLogP | 0 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 18 |
| 물질 분류 | Flammable agents - 4th degree |
| Solvents | Solvents -> Esters (<C12) |
| SpringerMaterials Properties | Coriolis coupling |
| LogP(분배 계수) | log Kow = 0.03-0.21 |
| 냄새 | AgreeablePleasant odor.즐거운기분 좋은. |
| 밀도 | 0.977 at 68 °F (USCG, 1999) - Less dense than waterwill float0.987 at 15 °C/15 °CDENSITY OF SATURATED AIR: 1.83 (AIR= 1)Relative density (water = 1): 0.970.975 @ 20°C0.974 g/mL at 20 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 0.325 mPa-s at 25 °C |
| Color/Form | Colorless liquid [Note: A gas above 89 degrees F]. |
| 용해도 | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)28.35 kJ/mol at 25 °CSoluble in ether, chloroformmiscible with ethanolIn water, 230,000 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 30 (good)30%300g/L |
| 인화점 | -26 °F (NTP, 1992)-2 °F-2 °F (-19 °C) (Closed Cup)−16 °F |
| 끓는 점 | 88.7 °F at 760 mmHg (NTP, 1992)31.5 °C32 °C89 °F31.5 °C @760 [mm Hg]32-34 °C (lit.) |
| 녹는점 | -100 °C (lit.) |
| 증기 밀도 | 2.1 (vs air) |
| 증기압 | 32.91 psi ( 55 °C) |
| 굴절률 | n20/D 1.343(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| pH | 4-5 (200g/l, H2O, 20℃) |
| 폭발한계 | 5-23%(V) |
| 후각 역치 | 130ppm |
| 생물학적 소스 | synthetic |
| 향취 유형 | 과일 같은 |
| 용해도 | 300 g/L (20 ºC) |
| 비열 | Cp(liquid): 1.98 J/(g·K)Cp(gas): 1.07 J/(g·K), at 25℃ |
| Merck | 14,6077 |
| BRN | 1734623 |
| 헨리 상수 | 0.90 at 5.00 °C, 1.18 at 10.00 °C, 1.51 at 15.00 °C, 1.91 at 20.00 °C, 2.36 at 25.00 °C (column stripping-UV, Kutsuna et al., 2005) |
| 유전율 | 8.5(20℃) |
| 안정성 | 안정적인. 가연성이 매우 높습니다. 공기와 쉽게 폭발성 혼합물을 형성합니다. 인화점이 낮고 폭발 한계가 매우 넓다는 점에 유의하십시오. 산화제와 호환되지 않습니다. |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| InChI | 1S/C2H4O2/c1-4-2-3/h2H,1H3 |
| InChIKey | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| SMILES | [H]C(=O)OC |
| LogP(분배 계수) | -0.21 at 25℃ |
| NIST | Methyl formate(107-31-3) |
| EPA | Methyl formate (107-31-3) |
화학적 성질
Methyl formate is a colorless liquid with a pleasant odor. Its solubility in water is 230 g/l at 25 °C (Riddick et al., 1985), but it reacts slowly with water to form formic acid and methyl alcohol (DOT, 1984). It is soluble in ether, chloroform, and is miscible with ethanol (Lide, 2000).
안전 및 규제
| GHS 분류 | DangerH224: Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P330, 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 1.4% (11 of 764) of reports.H224 (98.6%): Extremely flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Formic acid, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Formic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Formic 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)Status: Active Update: 07-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2054Formic acid, methyl ester: HSNO Approval: HSR001192 Approved with controlsThe 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.) |
| 기타 안전 정보 | IMAP assessments - Formic acid, methyl ester: Environment tier I assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Behavior in Fire: Vapor is heavier than air and may travel considerable distance to a source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Extremely flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting. Risk of fire and explosion on contact with strong oxidants. |
| 화재 가능성 | Flammable liquid.Mixes with water. Flammable, irritating vapor is produced.Very dangerous fire hazard when exposed to heat or flame. |
| 건강 유해성 | Inhalation causes irritation of mucous membranes. Prolonged inhalation can produce narcosis and central nervous symptoms, including some temporary visual disturbance. Contact with liquid irritates eyes and may irritate skin if allowed to remain. Ingestion causes irritation of mouth and stomach and central nervous system depression, including visual disturbances. (USCG, 1999) |
용도
개요
Methyl Formate, also known as methyl methanoate, is the methyl ester of formic acid. The simplest example of an ester, it is a clear liquid with an ethereal odour, high vapor pressure, and low surface tension. It is an aromatic compound found in apples (Neubeller and Buchloh, 1986), and was identified as a volatile constituent in brewed, roasted, and dried coffee (Lovell et al., 1980); Methyl formate is used primarily to manufacture formamide, dimethylformamide, and formic acid. It is also used as a solvent for quick-drying finishes such as lacquers and in organic synthesis.
용도
Methyl formate is used as a fumigant, as alarvicide for food crops, and as a solvent forcellulose acetate.
일반 설명
A clear colorless liquid with an agreeable odor. Flash point -27°F. Less dense than water Vapors heavier than air.
제조 및 합성 방법
생산 방법
In the laboratory, methyl formate can be produced by the condensation reaction of methanol and formic acid, as follows: HCOOH + CH3OH → HCOOCH3 + H2O Industrial methyl formate, however, is usually produced by the combination of methanol and carbon monoxide (carbonylation) in the presence of a strong base, such as sodium methoxide : CH3OH + CO → HCOOCH3 This process, practiced commercially by BASF among other companies gives 96 % selectivity toward methyl formate, although it can suffer from catalyst sensitivity to water, which can be present in the carbon monoxide feedstock, commonly derived from synthesis gas. Very dry carbon monoxide is, therefore, an essential requirement.