butyl acetoacetate，CAS 登记号 591-60-6，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于Organic Chemicals。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 591-60-6; molecular formula C8H14O3; molecular weight — g/mol.
Butyl acetoacetate, Butyl 3-oxobutanoate, Butanoic acid, 3-oxo-, butyl ester, Acetoacetic acid, butyl ester, Butyl 3-oxobutyrate, Butyl 3-ketobutyrate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H227.
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.