Description

Ethyl hydrogen malonate (CAS No. 1071-46-1), also known as monoethyl malonate or 3-ethoxy-3-oxopropanoic acid, is a high-purity organic compound with the molecular formula C₅H₈O₄. This versatile ester-carboxylic acid hybrid is widely utilized in organic synthesis, pharmaceutical research, and specialty chemical manufacturing. The compound presents as a clear to slightly yellow liquid under standard conditions, offering excellent solubility in common organic solvents such as ethanol, diethyl ether, and acetone.

With a molecular weight of 132.11 g/mol, ethyl hydrogen malonate serves as a valuable building block for malonic acid derivatives and other complex molecular architectures. Its bifunctional nature (containing both ester and carboxylic acid groups) makes it particularly useful for condensation reactions and as a precursor in heterocyclic chemistry. Our product is rigorously tested to ensure optimal purity (>98%) and consistency, meeting the exacting standards of research laboratories and industrial applications.

Key identifiers include EINECS 213-992-7 and DTXSID10147915. Proper storage recommendations include maintaining the product in a tightly sealed container at 2-8°C, protected from moisture and light to ensure long-term stability.

Properties

• CAS Number: 1071-46-1
• Complexity: 118
• IUPAC Name: 3-ethoxy-3-oxo-propanoic acid
• InChI: InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
• InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N
• Exact Mass: 132.04225873
• Molecular Formula: C5H8O4
• Molecular Weight: 132.11
• SMILES: CCOC(=O)CC(=O)O
• Topological: 63.6
• Monoisotopic Mass: 132.04225873
• Physical Description: Solid
• Melting Point: 47 – 50 °C
• Synonyms: Ethyl hydrogen malonate, 1071-46-1, Monoethyl malonate, EINECS 213-992-7, DTXSID10147915, DTXCID9070406, 213-992-7, 3-ethoxy-3-oxopropanoic acid, monoethyl malonic acid, mono-Ethyl malonate, Monoethyl hydrogen malonate, (Ethoxycarbonyl)acetic acid, malonic acid monoethyl ester, MFCD00020490, malonic acid monoethylester, 2-(ethoxycarbonyl)acetic acid, Propanedioic acid, monoethyl ester, 3-ethoxy-3-oxo-propanoic acid, 2-(2-Methylpropoxy)-5-(4-methyl-2-thiazolyl)benzonitrile; 2-Isobutoxy-5-(4-methylthiazol-2-yl)benzonitrile;, hydrogen ethyl malonate, (Ethoxycarbonyl)acetate, ethyl hydrogen malonoate, ethoxycarbonylacetic acid, Malonic acid ethyl ester, Malonic acid, ethyl ester, bmse000579, E7Y7DZ2K8W, SCHEMBL15376, malonic acid mono ethyl ester, 3-ethoxy-3-oxo-propionic acid, acetic acid, 2-ethoxycarbonyl-, SCHEMBL1664338, SCHEMBL8862285, SCHEMBL9320737, Propanedioic acid, 1-ethyl ester, CHEBI:193957, 3-(ethyloxy)-3-oxopropanoic acid, Propanedioic acid,?monoethyl ester, HY-Y1031, BBL011139, s3366, SBB066094, STK802450, AKOS005206705, AB01280, FE34925, SY003789, DB-040737, CS-0016016, M2700, NS00015105, EN300-41828, F20358, 3T-0050, F1905-6973

Application

Ethyl hydrogen malonate is primarily employed as a synthetic intermediate in pharmaceutical research, particularly in the preparation of barbiturates and other heterocyclic compounds. The compound serves as a versatile precursor for malonate esters and diethyl malonate derivatives through straightforward chemical modifications. In material science, it finds application as a monomer or cross-linking agent for specialty polymer synthesis. Researchers also utilize this chemical in organic transformations where its dual functionality enables selective reactions at either the ester or carboxylic acid group.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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