乙酰乙酸甲酯，CAS 登记号 105-45-3，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，下游主要用于精细化学品；医药中间体。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。
精细化学品；医药中间体
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Methyl Acetoacetate · CAS 105-45-3 · C5H8O3. UNII CW4I82QAX1. Boiling Point: 336 to 338 °F at 760 mmHg (USCG, 1999); Boiling Point: 171.7 °C; Boiling Point: 169.00 °C. @ 760.00 mm Hg.
| CAS Registry Number | 105-45-3 |
|---|---|
| PubChem CID | 7757 |
| Molecular formula | C5H8O3 |
| IUPAC name | methyl 3-oxobutanoate |
| UNII (FDA) | CW4I82QAX1 |
| Molecular Weight | 116.11 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 |
| Monoisotopic Mass | 116.047344113 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Boiling Point | 336 to 338 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 171.7 °C |
| Boiling Point | 169.00 °C. @ 760.00 mm Hg |
| Melting Point | -112 °F (USCG, 1999) |
| Melting Point | -80 °C |
| Melting Point | -27 °C |
| Flash Point | 158 °F (USCG, 1999) |
| Flash Point | 170 °F (77 °C) (open cup) |
| Flash Point | 77 °C c.c. |
| Solubility | 500.0 mg/mL |
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 0.6% (12 / 1934) |
| GHS notification summary | 0.6% (12 / 1934) |
|---|---|
| Reported hazard statements | H319, H227, H336 |
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
METHYL ACETOACETATE; Methyl 3-oxobutanoate; 105-45-3; Methylacetoacetate; Methyl acetylacetate; Acetoacetic acid methyl ester; Methyl 3-oxobutyrate; 3-Oxobutanoic acid methyl ester; Methyl acetylacetonate; Butanoic acid, 3-oxo-, methyl ester; Acetoacetic methyl ester; 1-Methoxybutane-1,3-dione; Acetoacetic acid, methyl ester; Methylester kyseliny acetoctove; DTXSID9026716; CW4I82QAX1
CAS 105-45-3; molecular formula C5H8O3; molecular weight — g/mol.
METHYL ACETOACETATE, Methyl 3-oxobutanoate, 105-45-3, Methylacetoacetate, Methyl acetylacetate, Acetoacetic acid methyl ester.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents.
0.6% of GHS notifications report no hazard classification (12 of 1934).
Boiling Point: 336 to 338 °F at 760 mmHg (USCG, 1999); Boiling Point: 171.7 °C; Boiling Point: 169.00 °C. @ 760.00 mm Hg; Melting Point: -112 °F (USCG, 1999).
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.