Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
옥산살디노르말부틸에스테러
다이뷰틸옥살레이트 · 옥산살디노르말부틸에스테러 · 다이부틸옥살레이트 · 다이뷰틸 옥살레이트 · BUTYL OXALATE · DIBUTYL OXALATE · DibutylOxalate>Butyl ethanedioate · DI-N-BUTYL OXALATE
식별자 및 물리적 특성
| CAS No. | 2050-60-4 |
|---|---|
| 분자식 | C10H18O4 |
| 평균 분자량 | 202.25 g/mol |
| 단동위원소 질량 | 202.12050905 g/mol |
| SMILES | CCCCOC(=O)C(=O)OCCCC |
| InChIKey | JKRZOJADNVOXPM-UHFFFAOYSA-N |
| PubChem CID | 16306 |
| ChEMBL | CHEMBL3185643 |
| ChEBI | CHEBI:169625 |
| EC No. | 218-092-8 |
| DTXSID | DTXSID7041916 |
| 현지명 | 옥산살디노르말부틸에스테러 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 157 |
| 끓는 점 | 241.00 °C. @ 760.00 mm Hg239-240 °C(lit.) |
| 녹는점 | -29 °C−29 °C(lit.) |
| 증기압 | 0.09 [mmHg] |
| Physical Description | Clear colorless liquid with a butyl-like odor[Acros Organics MSDS] |
| Kovats Retention Index | 13591319132013211325 |
| 밀도 | 0.986 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.423(lit.) |
| 인화점 | 228 °F |
| 용해도 | 물에 거의 녹지 않음 |
| 용해도 | Insoluble in water, soluble in alcohol and oils. |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 냄새 | Faint, nondescript odor between fruity and wincy, rather pleasant but weak. |
| BRN | 1776065 |
| 화장품 원료 기능 | 헤어 컨디셔닝가소제용제킬레이팅 |
| InChI | 1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | JKRZOJADNVOXPM-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)C(=O)OCCCC |
| LogP(분배 계수) | 2.742 (est) |
| NIST | Ethanedioic acid, dibutyl ester(2050-60-4) |
| EPA | Ethanedioic acid, dibutyl ester (2050-60-4) |
화학적 성질
clear colourless liquid
안전 및 규제
| GHS 분류 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 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 | Chemical: Ethanedioic acid, dibutyl ester |
| 기타 안전 정보 | IMAP assessments - Ethanedioic acid, dibutyl ester: Environment tier I assessmentIMAP assessments - Oxalate esters (C1-C4): Human health tier II assessment |
| 유해성 요약 | May cause irritation[Acros Organics MSDS] See Methyl oxalate and Diethyl oxalate. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)Acute toxicity - category 4Skin corrosion - category 1BSpecific target organ toxicity (repeated exposure) - category 2 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29171190 |
| 위험 문구(R) | 37/38-41-43-20/21 |
| 위험 표시 |
용도
일반 설명
The rate of dibutyl oxalate degradation in ruminal contents from adapted and non-adapted animals was studied.