Description

2,6-Dimethyl-4-pyranone (CAS No. 1004-36-0) is a high-purity organic compound with the molecular formula C₇H₈O₂. This heterocyclic ketone, also known as 2,6-dimethylpyran-4-one, features a six-membered pyran ring with two methyl groups at the 2- and 6-positions and a carbonyl group at the 4-position. It is a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The compound exhibits excellent stability under standard laboratory conditions and is supplied as a white to off-white crystalline powder with ≥98% purity (GC). Suitable for research and industrial applications, it is packaged under inert gas to ensure long-term stability. Store in a cool, dry place away from strong oxidizing agents.

Properties

• CAS Number: 1004-36-0
• Complexity: 179
• IUPAC Name: 2,6-dimethylpyran-4-one
• InChI: InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
• InChI Key: VSYFZULSKMFUJJ-UHFFFAOYSA-N
• Exact Mass: 124.052429494
• Molecular Formula: C7H8O2
• Molecular Weight: 124.14
• SMILES: CC1=CC(=O)C=C(O1)C
• Topological: 26.3
• Monoisotopic Mass: 124.052429494
• Synonyms: 2,6-Dimethyl-4H-pyran-4-one, 1004-36-0, 2,6-Dimethyl-4-pyrone, 2,6-Dimethyl-gamma-pyrone, 2,6-Dimethyl-4-pyranone, 4H-PYRAN-4-ONE, 2,6-DIMETHYL-, 2,6-Dimethyl-.gamma.-pyrone, NSC 8735, NSC-8735, CCRIS 3601, EINECS 213-719-1, NSC 48105, BRN 0107418, V2D262MF0L, AI3-05951, NSC-48105, DTXSID6074415, 2,6-dimethyl-4H-pyran-4o-one, 5-17-09-00410 (Beilstein Handbook Reference), DIMETHYL-4-PYRONE, 2,6-, DTXCID0032526, 213-719-1, inchi=1/c7h8o2/c1-5-3-7(8)4-6(2)9-5/h3-4h,1-2h, 2,6-dimethylpyran-4-one, gamma-2,6-Dimethylpyrone, 2,6-Dimethyl-pyran-4-one, MFCD00006579, 2,6-Dimethyl-g-pyrone, 2,6-Dimethyl-|A-pyrone, CHEMBL223295, 4-Pyrone, 2,6-dimethyl-, 4H-Pyran-4-one,6-dimethyl-, WLN: T6O DVJ B1 F1, UNII-V2D262MF0L, 2,6-dimethyl 4-pyrone, SCHEMBL9586, .gamma.-2,6-Dimethylpyrone, 2,6-Dimethyl-I(3)-pyron, 2,6-Dimethyl- gamma -pyrone, 2,6-Dimethyl-4H-pyran-4one, SCHEMBL27806530, SCHEMBL29094962, NSC8735, 2,6-Dimethyl-gamma-pyrone, 99%, NSC48105, BDBM50195868, SBB056217, STK328106, AKOS000120477, CS-W011185, HY-W010469, SB66380, AC-24427, DS-11861, SY011155, D0794, NS00015537, ST45022208, EN300-20155, P16521, Q27291448, F1244-0115, Z104477080

Application

2,6-Dimethyl-4-pyranone serves as a key intermediate in the synthesis of flavor and fragrance compounds due to its structural similarity to naturally occurring pyranones. It is widely used in pharmaceutical research for the development of heterocyclic drug candidates, particularly those targeting anti-inflammatory and antimicrobial properties. Additionally, this compound finds utility in material science as a precursor for functionalized polymers and coordination complexes.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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