Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
폴리(3-HYDROXYBUTYRICACID)
폴리(3-HYDROXYBUTYRICACID) · POLY(3-HYDROXYBUTYRATE) · Poly(a-hydroxybutyrate) · poly-beta-hydroxybutyrate · Poly(3-hydroxyvalericacid) · Poly-β-Hydroxybutyric Acid · POLY(3-HYDROXYBUTYRIC ACID) · Poly[(R)-3-hydroxybutyrate]
식별자 및 물리적 특성
| CAS No. | 26063-00-3 |
|---|---|
| 분자식 | C4H8O3 |
| 평균 분자량 | 104.1 g/mol |
| 단동위원소 질량 | 104.04734412 g/mol |
| SMILES | CC(O)CC(=O)O |
| InChIKey | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
| PubChem CID | 441 |
| ChEMBL | CHEMBL1162496 |
| ChEBI | CHEBI:20067 |
| EC No. | 206-099-9 |
| DTXSID | DTXSID60859511 |
| 현지명 | 폴리(3-HYDROXYBUTYRICACID) |
화학 및 물리적 성질
| XLogP | -0.5 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 69.3 |
| 물질 분류 | Other Classes -> Organic Acids |
| 지질 | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105] |
| SpringerMaterials Properties | Chemical shift |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Hygroscopic liquid[Merck Index] Clear, colorless to light yellow viscous liquid[Acros Organics MSDS] |
| Collision Cross Section | 137.54 Ų [M-H]- [CCS Type: DTMethod: stepped-field]137.1 Ų [M-H]- |
| 녹는점 | 47-180 °C |
| 밀도 | 1.2 g/cm3 |
| 저장 조건 | 2-8°C |
| 물리적 상태 | powder |
| 색상 | white to off-white |
화학적 성질
technical grade
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Butanoic acid, 3-hydroxy-3-Hydroxybutyric acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | An irritant[Acros Organics MSDS] See Butyric acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 저장 분류 | 11 - Combustible Solids |