Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-에틸-3-옥세탄메탄올
3-에틸-3-옥세탄메탄올 · (3-Ethyloxetan-3-yl)Methanol · 3-ETHYL-3-HYDROXYMETHYLOXETANE · 3-ethyl · EOXA · 3-ethyloxetane-3-methanol · EOX · EHMO
식별자 및 물리적 특성
| CAS No. | 3047-32-3 |
|---|---|
| 분자식 | C6H12O2 |
| 평균 분자량 | 116.16 g/mol |
| 단동위원소 질량 | 116.08372962 g/mol |
| SMILES | CCC1(CO)COC1 |
| InChIKey | UNMJLQGKEDTEKJ-UHFFFAOYSA-N |
| PubChem CID | 76444 |
| EC No. | 221-254-0 |
| DTXSID | DTXSID8062812 |
| 현지명 | 3-에틸-3-옥세탄메탄올 |
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 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 76.6 |
| Physical Description | LiquidCBI |
| 끓는 점 | 96 °C/4 mmHg (lit.) |
| 밀도 | 1.019 g/mL at 25 °C (lit.) |
| 증기압 | 3.1Pa at 25℃ |
| 굴절률 | n20/D 1.453(lit.) |
| 인화점 | 227 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 14.58±0.10(Predicted) |
| 색상 | 무색의 |
| 용해도 | 물에 섞임. |
| InChI | InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3 |
| InChIKey | UNMJLQGKEDTEKJ-UHFFFAOYSA-N |
| SMILES | O1CC(CC)(CO)C1 |
| LogP(분배 계수) | 0.6 at 25℃ |
| EPA | 3-Oxetanemethanol, 3-ethyl- (3047-32-3) |
화학적 성질
clear colorless liquid
안전 및 규제
| GHS 분류 | WarningH317 (54.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 329 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 3-Oxetanemethanol, 3-ethyl-3-Oxetanemethanol, 3-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Oxetanemethanol, 3-ethyl- 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: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/113363-ethyl-3-hydroxymethyloxetane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Sens. 1 (54.1%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 37/39-26-24/25 |
| 기존화학 물질 | 2009-3-4089 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-Ethyl-3-oxetanemethanol is used as pharmaceutical intermediate.