compound introduction
2-脱氢潘托内酯是一种四氢呋喃酮。它在功能上与戊糖酸相关。
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4,4-dimethyloxolane-2,3-dione
Dangerous GoodsCAS number：13031-04-4 molecular formula：C6H8O3
overview
Specs
| Chinese alias | - | ||
| English alias | 4,4-dimethyl-4,5-dihydrofuran-2,3-dione | 2-Oxo-3,3-dimethyl-gamma-butyrolactone | DS-15458 | 2-dehydropantolactone | 4,4-Dimethyldihydrofuran-2,3-dione | EN300-116454 | AMY24290 | Dihydro-4,4-dimethylfuran-2,3-dione | 2-oxopantoyl lactone | C01125 | C722 | ||
| CAS number | 13031-04-4 | molecular formula | C6H8O3 |
| molecular weight | 128.13 | Exact mass | ≥97% |
| PSA | 43.4 | logp | 0.6 |
numbering system
| CAS | 13031-04-4 |
| KEGG ID | C01125 |
| ChEBI ID | 18395 |
| Wikidata | Q27103050 |
| PubChem CID | 39 |
| Nikkaji Number | J27.237J |
| DSSTox Substance ID | DTXSID30156448 |
| Metabolomics Workbench ID | 51260 |
| European Community (EC) Number | 235-891-7 |
| PubChem Reference Collection SID | 505790034 |
physicochemical properties
| XLogP3 | XLogP3-AA: 0.6 |
| 复杂性 | 169 |
| Exact Mass | 128.047344113 |
| 形式电荷 | 0 |
| 重原子计数 | 9 |
| Molecular Weight | 128.13 |
| Monoisotopic Mass | 128.047344113 |
| 可旋转键计数 | 0 |
| 氢键供体计数 | 0 |
| 氢键受体计数 | 3 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 43.4 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
危害类别和分类：
STOT SE 3 (100%)
Production methods and uses
purpose
工业应用参考：
工业分类参考：橡胶和塑料制品业。
应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件 。
作用参考：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。
选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
13031-04-4 | Dihydro-4,4-dimethyl-2,3-furandione.pdf
