butyl acetoacetate (CAS 591-60-6) — formula C8H14O3, molecular weight 158.19; category organic chemicals.
butyl acetoacetate is a carbon-based organic compound with CAS registry number 591-60-6 and molecular formula C8H14O3 (molecular weight 158.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 591-60-6
Its molecular formula C8H14O3 comprises 8 C, 14 H, 3 O atoms.
Also known as: butyl acetoacetate
Category: organic chemicals
The CAS registry number of butyl acetoacetate is 591-60-6.
Molecular formula C8H14O3, molecular weight 158.19.
It is also registered under: butyl acetoacetate.
Category: Organic Chemicals.
Public-database records for butyl acetoacetate (CAS 591-60-6), reproduced here for independent cross-checking.
| 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)
| 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 |
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| 沸点 | 100.00 to 103.00 °C. @ 16.00 mm Hg |
|---|---|
| 沸点 | 205 °C;100-103 °C (16 mm Hg) |
| 熔点 | -35.6 °C |
| 密度 | 0.976 |
| 折射率 | 1.425-1.435 |
| CAS Registry Number | 591-60-6 |
|---|---|
| PubChem CID | 11576 |
| 分子式 | C8H14O3 |
| IUPAC 名称 | butyl 3-oxobutanoate |
| UNII（FDA） | 2W08J7H74O |
| FEMA 编号 | 2176 |
| JECFA 编号 | 596 |
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
| 分子量 | 158.19 |
|---|---|
| XLogP3 | 1.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 6 |
| 精确质量 | 158.094294304 |
| 单同位素质量 | 158.094294304 |
| 拓扑极性表面积 | 43.4 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
butyl acetoacetate · CAS 591-60-6 · C8H14O3. UNII 2W08J7H74O. 沸点: 100.00 to 103.00 °C. @ 16.00 mm Hg; 沸点: 205 °C;100-103 °C (16 mm Hg); 熔点: -35.6 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.