4-Methyl-2,3-pentanedione（CAS 7493-58-5）：分子式 C6H10O2、分子量 114.07 g/mol。
| CAS号 | 7493-58-5 |
|---|---|
| 分子式 | C6H10O2 |
| 分子量 | 114.07 g/mol |
| 熔点 | -2.40 °C. @ 760.00 mm Hg |
| 沸点 | 116.00 to 118.00 °C. @ 760.00 mm Hg |
| LogP | 0.6 |
4-Methyl-2,3-pentanedione 是一种化工化合物，登记 CAS 号为 7493-58-5，分子式 C6H10O2（分子量 114.07 g/mol）。
登记 CAS 号：7493-58-5
其分子式 C6H10O2 由 6 个碳、10 个氢、2 个氧 组成。
别名/同义词：4-Methyl-2,3-pentanedione · 4-methylpentane-2,3-dione
4-Methyl-2,3-pentanedione 的 CAS 登记号为 7493-58-5。
分子式 C6H10O2，分子量 114.07 g/mol。
别名/同义词：4-Methyl-2,3-pentanedione、4-methylpentane-2,3-dione。
4-Methyl-2,3-pentanedione（CAS 7493-58-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 7493-58-5 |
|---|---|
| PubChem CID | 24115 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | 4-methylpentane-2,3-dione |
| InChIKey | JENYBWHRLYZSSZ-UHFFFAOYSA-N |
| UNII (FDA) | K372XXT72S |
| ChEBI ID | CHEBI:173383 |
| FEMA number | 2730 |
| JECFA number | 411 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 116.00 to 118.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 116 °C |
| Melting Point | -2.40 °C. @ 760.00 mm Hg |
| Density | 0.941-0.950 (20 °C) |
| Refractive Index | 1.397-1.405 |
Acetyl isobutyryl; 4-Methylpentane-2,3-dione; 7493-58-5; 4-METHYL-2,3-PENTANEDIONE; 2,3-Pentanedione, 4-methyl-; FEMA No. 2730; acetylisobutyryl; UNII-K372XXT72S; Isopropylmethylglyoxal; K372XXT72S; FEMA 2730; EINECS 231-328-4; NSC-31666; DTXSID90864077; NSC 31666; 4-METHYL-2,3-PENTANEDIONE [FHFI]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H317 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
4-Methyl-2,3-pentanedione is identified by CAS 7493-58-5, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII K372XXT72S; ChEBI 173383; InChIKey JENYBWHRLYZSSZ-UHFFFAOYSA-N. Boiling Point: 116.00 to 118.00 °C. @ 760.00 mm Hg; Boiling Point: 116 °C; Melting Point: -2.40 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-Methyl-2,3-pentanedione