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ポリ(3-ヒドロキシ酪酸)
ポリ(3-ヒドロキシ酪酸) · POLY[(R)-3-HYDROXYBUTYRATE], MW 〜500 · POLY[(R)-3-HYDROXYBUTYRATE], MW 〜10,000 · POLY[(R)-3-HYDROXYBUTYRATE], MW 〜5000 · POLY[(R)-3-HYDROXYBUTYRATE], MW 〜3000 · POLY(3-HYDROXYBUTYRATE) · Poly(a-hydroxybutyrate) · poly-beta-hydroxybutyrate
識別子と物理属性
| CAS No. | 26063-00-3 |
|---|---|
| 分子式 | C4H8O3 |
| 平均分子量 | 104.1 g/mol |
| 単同位体質量 | 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 |
| 現地名 | ポリ(3-ヒドロキシ酪酸) |
化学・物理的性質
| XLogP | -0.5 |
|---|---|
| 極性表面積 | 57.5 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 69.3 |
| 物質分類 | Other Classes -> Organic Acids |
| 脂質 | 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]- |
| 融点 | 47-180 °C |
| 密度 | 1.2 g/cm3 |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | powder |
| 色 | white to off-white |
化学的特性
technical grade
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | Chemical: Butanoic acid, 3-hydroxy-3-Hydroxybutyric acid: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 有害性の概要 | An irritant[Acros Organics MSDS] See Butyric acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| 貯蔵分類 | 11 - Combustible Solids |