포름산에틸
포름산에틸 · Mrowczanetylu,FORMICACID,ETHYLESTER폼산에틸 · 폼산에틸(포름산에틸) · 폼산 에틸 · 에틸편대 · FORMIC ACID ETHYL ESTER · ETHYL METHANOATE · Ethyl forMat
식별자 및 물리적 특성
| CAS No. | 109-94-4 |
|---|---|
| 분자식 | C3H6O2 |
| 평균 분자량 | 74.08 g/mol |
| 단동위원소 질량 | 74.03677943 g/mol |
| SMILES | CCOC=O |
| InChIKey | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| PubChem CID | 8025 |
| ChEMBL | CHEMBL44215 |
| ChEBI | CHEBI:52342 |
| EC No. | 203-721-0 |
| DTXSID | DTXSID6040117 |
| 현지명 | 포름산에틸 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 26.1 |
| 물질 분류 | Flammable agents - 3rd degree |
| Solvents | Solvents -> Esters (<C12) |
| SpringerMaterials Properties | Coriolis coupling |
| 향료 | Fragrance Ingredient (Ethyl formate) -> IFRA transparency List |
| 농약 | InsecticidesActive substance -> EU Pesticides database: Not approved |
| LogP(분배 계수) | 0.230.27 |
| 냄새 | Fruity odor.특성기분 좋은 향기. |
| 맛 | SLIGHTLY BITTER TASTE |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.922 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9168 @ 20 °CCONVERSION FACTORS: 1 MG/L EQUIV TO 330 PPM1 PPM EQUIV TO 3.03 MG/CU MDENSITY OF SATURATED AIR: 1.25 (AIR= 1)Relative density (water = 1): 0.920.917-0.9220.921 g/mL at 20 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | MOBILE LIQUIDWATER-WHITE LIQColorless liquid. |
| 녹는점 | -80 °C (lit.) |
| 끓는 점 | 52-54 °C (lit.) |
| 증기 밀도 | 2.5 (vs air) |
| 증기압 | 15.16 psi ( 55 °C) |
| 굴절률 | n20/D 1.359(lit.) |
| FEMA | 2434 | ETHYL FORMATE |
| 인화점 | 7 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 알코올, 벤젠, 에테르와 혼합 가능(Hawley, 1981) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 생물학적 소스 | synthetic |
| 향취 유형 | 미묘한 |
| 후각 역치 | 2.7ppm |
| 폭발한계 | 16% |
| 용해도 | 11g/100mL(18℃) |
| 비열 | Cp(liquid): 2.02 J/(g·K), at 25℃ |
| JECFA Number | 26 |
| Merck | 14,3807 |
| BRN | 906769 |
| 헨리 상수 | 0.097(x 10-3 atmm3/mol) at 5.00 °C, 0.13 at 10.00 °C, 0.17 at 15.00 °C, 0.23 at 20.00 °C, 0.29 at 25.00 °C (column stripping-UV, Kutsuna et al., 2005) |
| 유전율 | 8.4(6℃) |
| 안정성 | 안정적인. 가연성이 매우 높습니다. 공기와 폭발성 혼합물을 형성할 수 있음. 낮은 인화점과 넓은 폭발 한계에 유의하십시오. 강산화제, 강염기, 강산, 질산염과 호환되지 않습니다. |
| 주요 응용 | 농업청소용품화장품환경향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 |
| InChIKey | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| SMILES | CCOC=O |
| LogP(분배 계수) | 1.504 at 25℃ |
| NIST | Formic acid, ethyl ester(109-94-4) |
| EPA | Ethyl formate (109-94-4) |
안전 및 규제
| GHS 분류 | DangerH225: Highly 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 0.6% (11 of 1923) of reports.H225 (99.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Formic acid, ethyl esterStatus: Active Update: 30-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17274Formic acid, ethyl ester: HSNO Approval: HSR001148 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, ethyl ester: Human health tier I assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Behavior in Fire: Vapor is heavier than air and may travel long distance to a source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly 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 | Burning Rate: 3.6 mm/min.DANGEROUS, WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS. |
| 건강 유해성 | Inhalation of vapor causes slight irritation of the eyes and rapidly increasing irritation of the nose. High concentrations cause deep narcosis within a few minutes followed by death within a few hours. Contact with liquid causes moderate irritation of eyes and mild irritation of skin. Ingestion causes irritation of mouth and stomachmay cause deep narcosis and death if not treated. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | Liquid causes second degree burns after contact for a few minutes. [CHRIS] The anesthetic potency of ethyl formate is greater than ethanol, acetone, and alkanes such as pentane, but less than chlorinated hydrocarbons and ethyl ether. TLV Basis = upper respiratory tract irritant |
용도
개요
Ethyl formate is an ester formed when ethanol (an alcohol) reacts with formic acid (a carboxylic acid). It is also known as ethyl methanoate because formic acid is also known as methanoic acid. Ethyl formate has the characteristic smell of rum and is also partially responsible for the flavor of raspberries.
출처
Reported in the oil of Boronia dentigeroides; it has been identified in Florida orange juice, several varieties of honey, apple and pear and in distilled liquors, such as rum. Also reported found in peach, raspberry, strawberry, pineapple, cabbage, vinegar, cheeses, butter, cream, milk powder, cooked beef, beer, coffee, tea, honey, corn oil, brandy and mussels.
용도
Ethyl Formate is a flavoring agent that occurs naturally in some plant oils, fruits, and juices but does not occur naturally in the ani- mal kingdom. it is used in food at a maximum level, as served, of 0.05% in baked goods; 0.04% in chewing gum, hard candy, and soft candy; 0.02% in frozen dairy desserts; 0.03% in gelatins, puddings, and fillings; and 0.01% in all other food categories.Ethyl formate is also used as a solvent for nitrocellulose; as fungicide and larvicide for tobacco, cereals, dried fruits, etc.; in organic synthesis.
일반 설명
A clear colorless liquid with a pleasant odor. Flash point -4°F. Less dense than water. Vapors heavier than air.
제조 및 합성 방법
제조 방법
Ethyl Formate is an ester of formic acid and is prepared by esterification of formic acid with ethyl alcohol or by distillation of ethyl acetate and formic acid in the presence of concentrated sulfuric acid.