Description

3,5-Dimethyl-4-hydroxybenzonitrile (CAS No. 4198-90-7) is a high-purity benzonitrile derivative with the molecular formula C₉H₉NO. This compound, also known by its IUPAC name 4-hydroxy-3,5-dimethylbenzonitrile, is a white to off-white crystalline powder with applications in organic synthesis, pharmaceuticals, and material science. Its unique structure, featuring a hydroxyl group and nitrile functionality on a dimethyl-substituted benzene ring, makes it a valuable intermediate for the development of specialty chemicals and bioactive molecules. Suitable for researchers and industrial scientists, this product is rigorously tested for purity and consistency, ensuring reliable performance in synthetic workflows. Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 4198-90-7
• Complexity: 169
• IUPAC Name: 4-hydroxy-3,5-dimethyl-benzonitrile
• InChI: InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
• InChI Key: WFYGXOWFEIOHCZ-UHFFFAOYSA-N
• Exact Mass: 147.068413911
• Molecular Formula: C9H9NO
• Molecular Weight: 147.17
• SMILES: CC1=CC(=CC(=C1O)C)C#N
• Topological: 44
• Monoisotopic Mass: 147.068413911
• Synonyms: 4-Hydroxy-3,5-dimethylbenzonitrile, 4198-90-7, 3,5-Dimethyl-4-hydroxybenzonitrile, BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-, BRN 2574734, FP7F5WF7R4, DTXSID00194791, BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL-, CHEMBL-4207620, DTXCID40117282, 619-915-7, 2,6-Dimethyl-4-cyanophenol, 4-Cyano-2,6-dimethylphenol, MFCD00221716, 3,5-Dimethyl-4-hydroxybenzonitrile-d8, CHEMBL4207620, 4-Hydroxy-3,5-DiMethyl-Benzonitrile, 4-hydroxy-3,5-dimethylbenzenecarbonitrile, 4-Hydroxy-3,5-dimethyl-benzonitrile; 2,6-Dimethyl-4-cyanophenol; 4-Cyano-2,6-dimethylphenol; 4-Hydroxy-3,5-dimethylbenzonitrile;, UNII-FP7F5WF7R4, SCHEMBL197918, SCHEMBL16649897, CHEBI:194833, 3,5,-dimethyl-4-hydroxybenzonitrile, 3,5-dimethyl-4-hydroxy-benzonitrile, 4-hydroxy-3,5-dimethyl benzonitrile, BDBM50458420, SBB005819, 4-hydroxy 3, 5-dimethyl benzonitrile, AKOS005256952, AC-8502, CS-W020066, DS-0804, FD02097, PB30622, PS-4473, SB10009, AC-19781, BP-10033, ST092336, SY018922, 3,5-Dimethyl-4-hydroxybenzonitrile, 97%, 4-Hydroxy-3,5-dimethylbenzonitrile, 98%, DB-028298, A6884, D2790, NS00077814, benzenecarbonitrile, 4-hydroxy-3,5-dimethyl-, EN300-91953

Application

3,5-Dimethyl-4-hydroxybenzonitrile is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its reactive nitrile and hydroxyl groups enable its incorporation into complex molecular architectures, such as heterocyclic compounds and polymers. Researchers also utilize this compound in the development of liquid crystals and photoactive materials due to its aromatic and polar properties. Additionally, it serves as a building block for ligands and catalysts in asymmetric synthesis.

Safety and Hazards

GHS Hazard Statements

• H300 (87%): Fatal if swallowed [Danger Acute toxicity, oral]
• H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 2 (87%)
• Skin Irrit. 2 (13%)
• Eye Irrit. 2 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.