2-苄基乙酰乙酸乙酯（CAS 620-79-1）：分子式 C13H16O3、分子量 220.26。
| CAS号 | 620-79-1 |
|---|---|
| 分子式 | C13H16O3 |
| 分子量 | 220.26 |
| 沸点 | 276.00 °C. @ 760.00 mm Hg |
| LogP | 2.52 |
2-苄基乙酰乙酸乙酯 是一种化工化合物，登记 CAS 号为 620-79-1，分子式 C13H16O3（分子量 220.26）。
登记 CAS 号：620-79-1
其分子式 C13H16O3 由 13 个碳、16 个氢、3 个氧 组成。
别名/同义词：2-苄基乙酰乙酸乙酯 · Ethyl 2-benzylacetoacetate
2-苄基乙酰乙酸乙酯 的 CAS 登记号为 620-79-1。
分子式 C13H16O3，分子量 220.26。
别名/同义词：2-苄基乙酰乙酸乙酯、Ethyl 2-benzylacetoacetate。
2-苄基乙酰乙酸乙酯（CAS 620-79-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 620-79-1 |
|---|---|
| PubChem CID | 246929 |
| Molecular formula | C13H16O3 |
| IUPAC name | ethyl 2-benzyl-3-oxobutanoate |
| UNII (FDA) | 7K3AI5O6H2 |
| FEMA number | 2416 |
| JECFA number | 835 |
| Molecular Weight | 220.26 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 220.109944368 |
| Monoisotopic Mass | 220.109944368 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 16 |
| Boiling Point | 276.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 276 °C; 164 °C (18 mm Hg) |
| Density | 1.033-1.037 |
| LogP | 2.52 |
| Refractive Index | 1.498-1.502 |
Ethyl 2-benzylacetoacetate; 620-79-1; Ethyl 2-acetyl-3-phenylpropionate; spicy acetoacetate; Ethyl alpha-benzylacetoacetate; Ethyl benzyl acetoacetate; Ethyl .alpha.-benzylacetoacetate; Ethyl 3-oxo-2-benzylbutanoate; Ethyl benzylacetoacetate; FEMA No. 2416; Ethyl alpha-acetylhydrocinnamate; Ethyl .alpha.-acetylhydrocinnamate; Ethyl 2-acetyldihydrocinnamate; 7K3AI5O6H2; ethyl 2-acetyl-3-phenylpropanoate; Ethyl alpha-acetylbenzenepropanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Ethyl 2-benzylacetoacetate · CAS 620-79-1 · C13H16O3. UNII 7K3AI5O6H2. Boiling Point: 276.00 °C. @ 760.00 mm Hg; Boiling Point: 276 °C; 164 °C (18 mm Hg); Density: 1.033-1.037.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl 2-benzylacetoacetate