Methyl Acetoacetate (CAS 105-45-3) — formula C5H8O3, molecular weight 116.11; category fine chemicals.
Methyl Acetoacetate (CAS 105-45-3) is a chemical raw material in the fine chemicals category. Its molecular formula C5H8O3 comprises 5 C, 8 H, 3 O atoms. Its molecular weight is about 116.11. Reported physicochemical data: melting point around -112 °F (USCG, 1999), boiling point around 336 to 338 °F at 760 mmHg (USCG, 1999), LogP about 0. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 105-45-3 |
|---|---|
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.11 |
| Melting Point | -112 °F (USCG, 1999) |
| Boiling Point | 336 to 338 °F at 760 mmHg (USCG, 1999) |
| LogP | 0 |
| Applications | organic synthesis and as solvent for cellulose ethers, Solvent for cellulose ethers, component of solvent mixtures for cellulose esters, chemical intermediate for org compounds, synthesis of nifedipine, Principal Uses: herbicides |
| Category | Fine Chemicals|Pharmaceutical Intermediates |
Documented applications: organic synthesis and as solvent for cellulose ethers, Solvent for cellulose ethers, component of solvent mixtures for cellulose esters, chemical intermediate for org compounds, synthesis of nifedipine, Principal Uses: herbicides.
Methyl Acetoacetate is a high-value fine compound with CAS registry number 105-45-3 and molecular formula C5H8O3 (molecular weight 116.11), belonging to the fine chemicals segment of chemical raw materials.
CAS number: 105-45-3
Its molecular formula C5H8O3 comprises 5 C, 8 H, 3 O atoms.
Also known as: Methyl Acetoacetate · 乙酰乙酸甲酯
Category: fine chemicals / pharmaceutical intermediates and APIs
The CAS registry number of Methyl Acetoacetate is 105-45-3.
Molecular formula C5H8O3, molecular weight 116.11.
It is also registered under: Methyl Acetoacetate, 乙酰乙酸甲酯.
Recorded applications: organic synthesis and as solvent for cellulose ethers, Solvent for cellulose ethers, component of solvent mixtures for cellulose esters, chemical intermediate for org compounds, synthesis of nifedipine, Principal Uses: herbicides.
Category: Fine Chemicals / Pharmaceutical Intermediates.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Methyl Acetoacetate (CAS 105-45-3), compiled from public chemistry databases.
| 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 |
| 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 |
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
| 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 · 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰乙酸甲酯