butyl acetoacetate（CAS 591-60-6）：分子式 C8H14O3、分子量 158.19；类别 有机化学品。
| CAS号 | 591-60-6 |
|---|---|
| 分子式 | C8H14O3 |
| 分子量 | 158.19 |
| 熔点 | -35.6 °C |
| 沸点 | 100.00 to 103.00 °C. @ 16.00 mm Hg |
| LogP | 1.1 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Industry Uses: Intermediate、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 75、2021: 75、2020: 500、000 - <1、000、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Butanoic acid、3-oxo-、butyl ester: ACTIVE |
| 类别 | Organic Chemicals |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Industry Uses: Intermediate、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 75、2021: 75、2020: 500、000 - <1、000、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Butanoic acid、3-oxo-、butyl ester: ACTIVE。
butyl acetoacetate 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 591-60-6，分子式 C8H14O3（分子量 158.19），归属于有机化学品大类化工原料。
登记 CAS 号：591-60-6
其分子式 C8H14O3 由 8 个碳、14 个氢、3 个氧 组成。
别名/同义词：butyl acetoacetate
所属分类：有机化学品
butyl acetoacetate 的 CAS 登记号为 591-60-6。
分子式 C8H14O3，分子量 158.19。
别名/同义词：butyl acetoacetate。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Industry Uses: Intermediate、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 75、2021: 75、2020: 500、000 - <1、000、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Butanoic acid、3-oxo-、butyl ester: ACTIVE。
所属分类：Organic Chemicals。
butyl acetoacetate（CAS 591-60-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 591-60-6 |
|---|---|
| PubChem CID | 11576 |
| Molecular formula | C8H14O3 |
| IUPAC name | butyl 3-oxobutanoate |
| UNII (FDA) | 2W08J7H74O |
| FEMA number | 2176 |
| JECFA number | 596 |
| 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 | 100.00 to 103.00 °C. @ 16.00 mm Hg |
|---|---|
| Boiling Point | 205 °C;100-103 °C (16 mm Hg) |
| Melting Point | -35.6 °C |
| Density | 0.976 |
| Refractive Index | 1.425-1.435 |
Butyl acetoacetate; Butyl 3-oxobutanoate; Butanoic acid, 3-oxo-, butyl ester; Acetoacetic acid, butyl ester; Butyl 3-oxobutyrate; Butyl 3-ketobutyrate; Butylester kyseliny acetoctove; FEMA No. 2176; EINECS 209-722-2; NSC 97211; Butylester kyseliny acetoctove [Czech]; UNII-2W08J7H74O; BRN 1761408; 2W08J7H74O; NSC-97211; DTXSID3060453
| 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 |
|---|
| Reported hazard statements | H227 |
|---|
H227: Combustible liquid [Warning Flammable liquids]
P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement)
butyl acetoacetate · CAS 591-60-6 · C8H14O3. UNII 2W08J7H74O. Boiling Point: 100.00 to 103.00 °C. @ 16.00 mm Hg; Boiling Point: 205 °C;100-103 °C (16 mm Hg); Melting Point: -35.6 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: butyl acetoacetate