에틸 크로톤산
에틸크로톤산 · ETHYL TRANS-2-BUTENOATE · FEMA 3486 · TRANS-ETHYL CROTONATE · Ethylcrotonat · Ethyl 2-butenoate · EthylcrotonateFCC · Ethyl but-2-enoate
식별자 및 물리적 특성
| CAS No. | 10544-63-5 |
|---|---|
| 분자식 | C6H10O2 |
| 평균 분자량 | 114.14 g/mol |
| 단동위원소 질량 | 114.06807956 g/mol |
| SMILES | CC=CC(=O)OCC |
| InChIKey | ZFDIRQKJPRINOQ-UHFFFAOYSA-N |
| PubChem CID | 12191 |
| EC No. | 234-125-9 |
| DTXSID | DTXSID8065119 |
| 현지명 | 에틸 크로톤산 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 94 |
| 밀도 | 0.916-0.9210.918 g/mL at 25 °C(lit.) |
| 용해도 | Insoluble in watersoluble in oilsSoluble (in ethanol) |
| 끓는 점 | 136-137 °C142-143 °C(lit.) |
| 굴절률 | 1.422-1.428n20/D 1.424(lit.) |
| Physical Description | Ethyl crotonate appears as a clear colorless liquid with a pungent odor. Less dense than water and insoluble in water. Vapors heavier than air.Colorless liquid with a pungent odor[CAMEO]Colourless liquidPowerful sour caramellic-fruity aroma |
| 녹는점 | 37.22°C (estimate) |
| 증기 밀도 | 3.9 (vs air) |
| FEMA | 3486 | ETHYL TRANS-2-BUTENOATE |
| 인화점 | 36 °F |
| 저장 조건 | Flammables area |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 매운 과일 매운 에스테르 |
| 향취 유형 | 발효된 |
| JECFA Number | 1806 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 1.806 (est) |
| EPA | 2-Butenoic acid, ethyl ester (10544-63-5) |
화학적 성질
Ethyl crotonate has a powerful, sour, caramellic-fruity odor.
안전 및 규제
| GHS 분류 | WarningH226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids]H319 (> 99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1551 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: 2-Butenoic acid, ethyl ester2-Butenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024) |
| 건강 유해성 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024) |
| 유해성 요약 | A moderate eye irritant[RTECS] Safe when used as a flavoring agent in food[JECFA] An irritant and lachrymator |
용도
출처
Reported found in Fragaria vesca. Also reported found in guava fruit, guava peel, pineapple, white wine, yellow passion fruit, fresh mango, naranjilla fruit, mussel, loganberry, apple, papaya, concord grape, strawberry, rum, cocoa, plum, kiwifruit and other natural sources.
용도
Crotonic Acid Ethyl Ester, is an intermediate for the preparation of various pharmaceutical compounds. It can be used for the synthesis of (+)-trans-Trikentrin A.
일반 설명
A clear colorless liquid with a pungent odor. Flash point 36°F. Less dense than water and insoluble in water. Vapors heavier than air.
제조 및 합성 방법
제조 방법
By esterification of crotonic acid with ethyl alcohol in the presence of concentrated H2SO4.