Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-메톡시-1-프로펜
2-메톡시-1-프로펜 · MOP · 2-methoxyprop-1-ene · ISOPROPENYL METHYL ETHER · 2-Methoxyproene · 2-METHYOXYPROPENE · Ether, isopropenyl methyl · CH2=C(CH3)OCH3
식별자 및 물리적 특성
| CAS No. | 116-11-0 |
|---|---|
| 분자식 | C4H8O |
| 평균 분자량 | 72.11 g/mol |
| 단동위원소 질량 | 72.05751487 g/mol |
| SMILES | C=C(C)OC |
| InChIKey | YOWQWFMSQCOSBA-UHFFFAOYSA-N |
| PubChem CID | 8300 |
| EC No. | 204-125-3 |
| DTXSID | DTXSID3051591 |
| 현지명 | 2-메톡시-1-프로펜 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 38 |
| 증기압 | 517.0 [mmHg]27.96 psi ( 55 °C) |
| Physical Description | Liquidbp = 34-36 deg C[MSDSonline] |
| Kovats Retention Index | 482483 |
| 녹는점 | 25°C |
| 끓는 점 | 34-36 °C (lit.) |
| 밀도 | 0.753 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.382(lit.) |
| 인화점 | −21 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름에 용해됨 |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| pH | 7 (H2O) |
| 용해도 | 무시할 만한 |
| BRN | 1734635 |
| InChI | 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3 |
| InChIKey | YOWQWFMSQCOSBA-UHFFFAOYSA-N |
| SMILES | COC(C)=C |
| LogP(분배 계수) | 1.7 at 21℃ and pH8.1-8.4 |
| NIST | 1-Propene, 2-methoxy-(116-11-0) |
| EPA | 1-Propene, 2-methoxy- (116-11-0) |
화학적 성질
clear colorless liquid
안전 및 규제
| GHS 분류 | DangerH224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H412 (22.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 6 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 | Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/109971-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | May form explosive peroxidesAn irritant[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 1 (100%)Acute Tox. 4 (100%)Aquatic Chronic 3 (22.1%) |
| Toxicity Data | LCLo (rat) = 64,000 ppm/4h |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UD0800000 |
| 운송 번호(UN) | UN 1993 3/PG 1 |
| 독성 | rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |
| 관세 코드 | 29091990 |
| 위험 문구(R) | 12-19-22-11 |
| 위험 표시 | F+,Xn,F |
| 안전 문구(S) | 3-16-29-33-7/9-9-18 |
| 포장분류 | I |
| 위험 등급 | 3Acute Tox. 4 OralFlam. Liq. 1 |
| 기존화학 물질 | KE-21659 |
| F 고인화성물질 | 8-10 |
| 자연 발화 온도 | 374 °F |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 116-11-0(Hazardous Substances Data) |
용도
용도
2-Methoxypropene is used in the synthesis of Macrolactin A, a 24-member macrolide typically employed as an antibiotic. Also used in the synthesis of phenylalanine derivatives used as α4β1 and α4β7 receptor antagonists in the treatment of allergic asthma.