Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-메톡시-1-부탄올
3-메톡시-1-부탄올 · 3-메톡시부탄올 · 3-메톡시부탄올(3-METHOXYBUTANOL) · 3-메톡시-1-뷰탄올 · Methoxy-1-buta · Methoxybutanol · UNII:SJ995B41AO · 3-Methoxybutanol
식별자 및 물리적 특성
| CAS No. | 2517-43-3 |
|---|---|
| 분자식 | C5H12O2 |
| 평균 분자량 | 104.15 g/mol |
| 단동위원소 질량 | 104.08372962 g/mol |
| SMILES | COC(C)CCO |
| InChIKey | JSGVZVOGOQILFM-UHFFFAOYSA-N |
| PubChem CID | 17291 |
| ChEMBL | CHEMBL3186019 |
| ChEBI | CHEBI:189086 |
| EC No. | 219-741-8 |
| DTXSID | DTXSID0044812 |
| 현지명 | 3-메톡시-1-부탄올 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 37.1 |
| SpringerMaterials Properties | Optical coefficient |
| 녹는점 | -85 °C |
| 끓는 점 | 161 °C |
| 밀도 | 0.928 g/mL at 25 °C(lit.) |
| 증기압 | 17-460Pa at 20-50℃ |
| 굴절률 | n20/D 1.416(lit.) |
| 인화점 | 116 °F |
| 저장 조건 | Flammables area |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 14.90±0.10(Predicted) |
| 색상 | 무색의 |
| 용해도 | 녹는 |
| 화장품 원료 기능 | 용제 |
| InChI | 1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey | JSGVZVOGOQILFM-UHFFFAOYSA-N |
| SMILES | COC(C)CCO |
| LogP(분배 계수) | 0.002 at 25℃ and pH7 |
| NIST | 1-Butanol-3-methoxy-(2517-43-3) |
| EPA | 1-Butanol, 3-methoxy- (2517-43-3) |
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 26.6% (155 of 583) of reports.WarningH226 (73.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 583 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1-Butanol, 3-methoxy-1-Butanol, 3-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-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)Status: Active Update: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/51551-Butanol, 3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (73.4%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1987 3/PG 3 |
| 관세 코드 | 29094980 |
| 위험 문구(R) | 10 |
| 안전 문구(S) | 16 |
| 포장분류 | III |
| 위험 등급 | 3.2 |
| 기존화학 물질 | KE-23232 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-Methoxy-1-butanol can be used as: A solvent in the synthesis of potassium 3-methoxy-1-butylxanthate, an intermediate used in the preparation of xanthate complexes. A model compound in the study of dehydration of alcohols using CeO2as a catalyst. An intermediate to synthesize perylene diimide-based dyes applicable as the colorant of the black matrix.