丁酰乙酸乙酯（CAS 3249-68-1）：分子式 C8H14O3、分子量 158.19。
| CAS号 | 3249-68-1 |
|---|---|
| 分子式 | C8H14O3 |
| 分子量 | 158.19 |
| 沸点 | 104.00 °C. @ 22.00 mm Hg |
| LogP | 1.1 |
丁酰乙酸乙酯 是一种化工化合物，登记 CAS 号为 3249-68-1，分子式 C8H14O3（分子量 158.19）。
登记 CAS 号：3249-68-1
其分子式 C8H14O3 由 8 个碳、14 个氢、3 个氧 组成。
别名/同义词：丁酰乙酸乙酯 · Ethyl butyrylacetate
丁酰乙酸乙酯 的 CAS 登记号为 3249-68-1。
分子式 C8H14O3，分子量 158.19。
别名/同义词：丁酰乙酸乙酯、Ethyl butyrylacetate。
丁酰乙酸乙酯（CAS 3249-68-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 3249-68-1 |
|---|---|
| PubChem CID | 238498 |
| Molecular formula | C8H14O3 |
| IUPAC name | ethyl 3-oxohexanoate |
| UNII (FDA) | 8Q1AHG710E |
| FEMA number | 3683 |
| JECFA number | 602 |
| Molecular Weight | 158.19 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.094294304 |
| Monoisotopic Mass | 158.094294304 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 11 |
| Boiling Point | 104.00 °C. @ 22.00 mm Hg |
|---|---|
| Boiling Point | 90 °C (10 mm Hg); 104 °C (22 mm Hg) |
| Density | 0.983-1.000 (20 °C) |
| Refractive Index | 1.424-1.436 |
Ethyl 3-oxohexanoate; Ethyl butyrylacetate; 3249-68-1; Ethyl butyroacetate; Hexanoic acid, 3-oxo-, ethyl ester; Ethyl 3-Ketohexanoate; Ethyl beta-ketohexanoate; Ethyl alpha-butyrylacetate; 3-Oxohexanoic Acid Ethyl Ester; Ethyl .alpha.-butyrylacetate; FEMA No. 3683; EINECS 221-835-9; Butyrylacetic acid ethyl ester; 8Q1AHG710E; CHEBI:18119; AI3-23360
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 92.3% (96 / 104) |
| GHS notification summary | 92.3% (96 / 104) |
|---|
This chemical does not meet GHS hazard criteria for 92.3% (96 of 104) of all reports.
Reported as not meeting GHS hazard criteria by 96 of 104 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Ethyl butyrylacetate · CAS 3249-68-1 · C8H14O3. UNII 8Q1AHG710E. Boiling Point: 104.00 °C. @ 22.00 mm Hg; Boiling Point: 90 °C (10 mm Hg); 104 °C (22 mm Hg); Density: 0.983-1.000 (20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl butyrylacetate