메톡시시클로펜탄
메톡시시클로펜탄 · 시클로펜틸메틸에테르 · CPME · CMPE · METHOXYCYCLOPENTANE · Cyclpentyl methyl ether · DKJ33F · Cyclopentane,methoxy-
식별자 및 물리적 특성
| CAS No. | 5614-37-9 |
|---|---|
| 분자식 | C6H12O |
| 평균 분자량 | 100.16 g/mol |
| 단동위원소 질량 | 100.088815 g/mol |
| SMILES | COC1CCCC1 |
| InChIKey | SKTCDJAMAYNROS-UHFFFAOYSA-N |
| PubChem CID | 138539 |
| EC No. | 445-090-6 |
| DTXSID | DTXSID2074958 |
| 현지명 | 메톡시시클로펜탄 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 46 |
| Physical Description | Liquid |
| Kovats Retention Index | 760 |
| 녹는점 | -140°C |
| 끓는 점 | 106°C |
| 밀도 | 0.86 |
| 증기압 | 59.9 hPa (25 °C) |
| 인화점 | -1°C(lit.) |
| 굴절률 | 1.4210 |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| 색상 | APHA: ≤10 |
| 폭발한계 | 1.10-9.90% |
| 용해도 | 물, 알코올, 케톤 및 탄화수소와 혼합 가능합니다. |
| 안정성 | 휘발성 물질 |
| InChI | 1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3 |
| InChIKey | SKTCDJAMAYNROS-UHFFFAOYSA-N |
| SMILES | COC1CCCC1 |
| LogP(분배 계수) | 1.6 at 20℃ |
| EPA | Cyclopentane, methoxy- (5614-37-9) |
화학적 성질
Clear liquid
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (32.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (62.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 115 reports by companies from 8 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 | Cyclopentane, methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentane, methoxy- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 30-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26626Status: Active Update: 29-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6163 |
| Peroxide Forming Chemical | Cyclopentyl methyl ether (CPME)D: Other compounds that may form peroxides1 ppm open new bottle, 3-10 ppm after 3 hours of air sparging and uv light on a 5 mL sample in a 50 mL flask.683 days to reach 100 ppm, 20 mL of sample in a brown 65 mL bottleWatanabe et al - Org. Process Res. Dev.Peroxide formation is slow (based on literature studies), but the reagent is still inhibited with BHT to provent possible peroxide formation.https://doi.org/10.1021/op0680136https://doi.org/10.1246/cl.2008.774 |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Acute Tox. 4 (100%)Acute Tox. 4 (32.2%)Skin Irrit. 2 (62.6%)Eye Irrit. 2 (95.7%)Acute Tox. 4 (98%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)Aquatic Chronic 3 (37.3%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN3271 |
| 독성 | LD50 orally in Rabbit: 200 - 2000 mg/kg LD50 dermal Rat > 2000 mg/kg |
| 관세 코드 | 2909 20 00 |
| 위험 문구(R) | 11-22-36/38 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 26 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2 |
| 기존화학 물질 | 2010-3-4628 |
| 자연 발화 온도 | 180 °C |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Cyclopentyl methyl ether (CPME) is an alternative to ether solvents such as THF, diethyl ether, and MTBE with a higher resistance to peroxide formation. The more environmentally conservative CPME solvent replaces hazardous solvents in order to achieve sustainability and reduce environmental and operational costs. CPME offers considerable potential and advantage as a direct replacement for CH2Cl2 in binary eluents using MeOH as the modifier with MeOH-DMC and i-PrOH-EtOAc.
일반 설명
Cyclopentyl methyl ether (CPME) is a greener alternative to other ethereal solvents such as tetrahydrofuran (THF), 2-methyl tetrahydrofuran (2-MeTHF), dioxane (carcinogenic), tert-Butyl methyl ether (MTBE), and 1,2-dimethoxyethane (DME) and thus has been enhanced for "Safer Solvents and Auxiliaries".