Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,4-Butanediol monovinyl ether
HBVE · 4-HYDROXYBUTYL VINYL ETHER · HYDROXYBUTYL VINYL ETHER · BUTANEDIOL MONOVINYL ETHER · TETRAMETHYLENE GLYCOL MONOVINYL ETHER · 4-VINYLOXYBUTANOL · 4-Vinyloxy-1-butanol · 5-Oxa-6-heptene-1-ol
식별자 및 물리적 특성
| CAS No. | 17832-28-9 |
|---|---|
| 분자식 | C6H12O2 |
| 평균 분자량 | 116.16 g/mol |
| 단동위원소 질량 | 116.08372962 g/mol |
| SMILES | C=COCCCCO |
| InChIKey | HMBNQNDUEFFFNZ-UHFFFAOYSA-N |
| PubChem CID | 87329 |
| ChEMBL | CHEMBL3182123 |
| EC No. | 241-793-5 |
| DTXSID | DTXSID6044854 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 52.5 |
| SpringerMaterials Properties | Viscosity |
| Physical Description | Liquid |
| 녹는점 | -33 °C |
| 끓는 점 | 95 °C/20 mmHg (lit.) |
| 밀도 | 0.939 g/mL at 25 °C (lit.) |
| 증기압 | 0.3 hPa (20 °C) |
| 굴절률 | n20/D 1.444(lit.) |
| 인화점 | 185 °F |
| 저장 조건 | Store at <= 20°C. |
| 용해도 | 75g/L |
| pKa(산도 계수) | 15.04±0.10(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| 비중 | 0.93 |
| 폭발한계 | 1.4-9.9%(V) |
| 용해도 | 75g/L(20℃) |
| InChI | 1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2 |
| InChIKey | HMBNQNDUEFFFNZ-UHFFFAOYSA-N |
| SMILES | OCCCCOC=C |
| LogP(분배 계수) | 0.43 at 25℃ |
| EPA | 1-Butanol, 4-(ethenyloxy)- (17832-28-9) |
화학적 성질
1,4-Butanediol vinyl ether (HBVE; 4-Hydroxybutyl vinyl ether) is a colorless or light yellow transparent liquid with a slight odor similar to ether. It is miscible with alcohols, ethers, esters and aromatic hydrocarbons.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.5% (6 of 171) of reports.WarningH302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 171 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 1-Butanol, 4-(ethenyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 4-(ethenyloxy)- 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: 30-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/119521,4-Butanediolmonovinylether: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (90.6%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | NA 1993 / PGIII |
| 독성 | LD50 orally in Rabbit: 1738 mg/kg LD50 dermal Rat > 2000 mg/kg |
| 관세 코드 | 2909 49 80 |
| 위험 문구(R) | 20/21/22-36/37/38-22-52/53 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-24/25-61 |
| 기존화학 물질 | KE-35381 |
| 자연 발화 온도 | 225 °C DIN 51794 |
| 위험 등급 | Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |