Description

3-Hydroxy-2,2-dimethylpropionaldehyde (CAS No. 597-31-9) is a high-purity organic compound with the molecular formula C₅H₁₀O₂. This aldehyde derivative, also known as Hydroxypivalaldehyde, features a reactive formyl group (–CHO) and a hydroxyl group (–OH) on a branched carbon backbone, making it a versatile intermediate in fine chemical synthesis. Its IUPAC name is 3-hydroxy-2,2-dimethylpropanal, and it is characterized by its clear to pale-yellow liquid appearance with a mild, characteristic odor. Suitable for research and industrial applications, this compound is packaged under inert conditions to ensure stability and longevity. Ideal for use in pharmaceutical, agrochemical, and specialty chemical synthesis, it offers excellent reactivity in condensation, reduction, and oxidation reactions. Store in a cool, dry place away from strong oxidizers.

Properties

• CAS Number: 597-31-9
• Complexity: 66.5
• IUPAC Name: 3-hydroxy-2,2-dimethyl-propanal
• InChI: InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
• InChI Key: JJMOMMLADQPZNY-UHFFFAOYSA-N
• Exact Mass: 102.068079557
• Molecular Formula: C5H10O2
• Molecular Weight: 102.13
• SMILES: CC(C)(CO)C=O
• Topological: 37.3
• Monoisotopic Mass: 102.068079557
• Physical Description: Liquid; mp = 30-33 deg C;
• Synonyms: 3-Hydroxy-2,2-dimethylpropanal, Hydroxypivaldehyde, Hydroxypivalaldehyde, Propanal, 3-hydroxy-2,2-dimethyl-, 2,2-Dimethyl-3-hydroxypropanal, 2-(Hyroxymethyl)-2-methylpropanal, HSDB 5711, UNII-6DK0IR9LLR, EINECS 209-895-4, 3-HYDROXY-2,2-DIMETHYLPROPIONALDEHYDE, 2,2-Dimethyl-beta-hydroxypropionaldehyde, Propionaldehyde, 3-hydroxy-2,2-dimethyl-, 2-(Hydroxymethyl)isobutyraldehyde, Propanal, 2,2-dimethyl-3-hydroxy-, DTXSID9027231, 2-(HYDROXYMETHYL)-2-METHYLPROPANAL, 3-HYDROXY-2,2-DIMETHYLPROPIONALDEHYDE [HSDB], 3Hydroxypivalaldehyde, 2,2Dimethyl3hydroxypropanal, 3Hydroxy2,2dimethylpropanal, Hydracrylaldehyde, 2,2dimethyl, Propanal, 3hydroxy2,2dimethyl, 2(Hydroxymethyl)2methylpropanal, DTXCID407231, 2,2Dimethylbetahydroxypropionaldehyde, Propionaldehyde, 3hydroxy2,2dimethyl, alpha,alphaDimethylbetahydroxypropionaldehyde, Hydracrylaldehyde, 2,2-dimethyl-(6CI,7CI,8CI), jjmommladqpzny-uhfffaoysa-n, 597-31-9, Pentaldol, Pentaaldol, 3-Hydroxypivalaldehyde, 2,2-Dimethyl-3-hydroxypropionaldehyde, Hydracrylaldehyde, 2,2-dimethyl-, MFCD00006963, 6DK0IR9LLR, 2,2-Dimethyl-3-hydroxypropioaldehyde, 31091-91-5, alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde, NCIOpen2_005680, SCHEMBL36074, SCHEMBL56766, SCHEMBL7043073, SCHEMBL28204571, 3-Hydroxy-2,2-dimethylpropanal #, NSC91821, NSC-91821, 3-hydroxy-2,2-dimethylpropanaldehyde, AKOS006240724, SB85060, 2,2-dimethyl-3-hydroxy-propionaldehyde, 3-hydroxy-2,2-dimethyl-propionaldehyde, 3-Hydroxy-2 pound not2-dimethylpropanal, 3-hydroxy-2,2-dimethyl- propionaldehyde, AS-34997, FH147438, SY107563, NS00034226, EN300-108646, 2,2-DIMETHYL-3-HYDROXYPROPIONALDEHYDE, TECH., Q27264584, .ALPHA.,.ALPHA.-DIMETHYL-.BETA.-HYDROXYPROPIONALDEHYDE, Hydroxypivaldehyde – mixture of monomer and dimer;Hydroxypivaldehyde – mixture of monomer

Application

3-Hydroxy-2,2-dimethylpropionaldehyde serves as a key building block in organic synthesis, particularly in the production of pharmaceuticals and fragrances. It is used in the synthesis of vitamins (e.g., panthenol) and as a precursor for crosslinking agents in polymer chemistry. Its reactive aldehyde and hydroxyl groups facilitate the formation of heterocyclic compounds and specialty resins. Researchers also employ it in catalytic studies and asymmetric synthesis due to its chiral center potential.

Safety and Hazards

GHS Hazard Statements

• H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2A (97.7%)

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