Description

1-(4-(Methylthio)phenyl)ethan-1-one (CAS No. 1778-09-2) is a high-purity organic compound with the molecular formula C₉H₁₀OS. This aromatic ketone features a methylthio (-SMe) functional group at the para position of the phenyl ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 1-(4-methylsulfanylphenyl)ethanone, and it is commonly recognized for its role in the production of fragrances, agrochemicals, and specialty chemicals. With a molecular weight of 166.24 g/mol, this compound exhibits excellent stability under standard conditions and is supplied as a crystalline solid with ≥98% purity (GC). Ideal for researchers and scientists, it is packaged in amber glass vials or bulk quantities to ensure optimal shelf life and protection from light degradation.

Properties

• CAS Number: 1778-09-2
• Complexity: 136
• IUPAC Name: 1-(4-methylsulfanylphenyl)ethanone
• InChI: InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
• InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N
• Exact Mass: 166.04523611
• Molecular Formula: C9H10OS
• Molecular Weight: 166.24
• SMILES: CC(=O)C1=CC=C(C=C1)SC
• Topological: 42.4
• Monoisotopic Mass: 166.04523611
• Synonyms: 1-(4-(Methylthio)phenyl)ethan-1-one, Ethanone, 1-[4-(methylthio)phenyl]-, 1-[4-(Methylthio)phenyl]ethan-1-one, EINECS 217-213-1, Ethanone, 1-(4-(methylthio)phenyl)-, NSC 403927, 217-213-1, 1778-09-2, 4′-(Methylthio)acetophenone, 1-(4-(Methylthio)phenyl)ethanone, 4′-methylthioacetophenone, 4-(Methylthio)acetophenone, 1-(4-methylsulfanylphenyl)ethanone, 1-[4-(Methylsulfanyl)phenyl]ethanone, 4′-(Methylmercapto)acetophenone, 1-[4-(methylsulfanyl)phenyl]ethan-1-one, 1-[4-(methylthio)phenyl]ethanone, p-(methylthio)acetophenone, MFCD00039835, 4-Acetylphenyl methyl sulfide, 4-(Methylsulfenyl)acetophenone, 1-Acetyl-4-(methylthio)benzene, 4-(Acetyl)thioanisole, NSC-403927, 1-acetyl-4-methylthiobenzene, 4-acetylthioanisole, NSC403927, 4-methylthioacetophenone, FN9JM37X2P, p-Acetylphenyl methyl sulfide, 4′-(methylthio) acetophenone, p-(Methylmercapto)acetophenone, SCHEMBL195320, SCHEMBL195321, 4-CH3S-C6H4-COCH3, DTXSID3075129, 1-(4-methylthiophenyl)ethan-1-one, BCP20233, 4′-(Methylthio)acetophenone, 97%, BBL009965, SBB088031, STK801365, 1-(4-methylsulfanyl-phenyl)-ethanone, AKOS000123187, CS-W017854, FS-1766, 1-(4-Methylsulphanylphenyl)-1-ethanone, 1-[4-(Methylsulfanyl)phenyl]ethanone #, NCGC00342931-01, ST088589, SY050241, DB-016680, M1672, NS00021763, EN300-11162, F14884, AB01334813-02, AB-131/40227350, 4 inverted exclamation mark -(Methylthio)acetophenone, 4 inverted exclamation marka-(Methylthio)acetophenone, Z57036277

Application

1-(4-(Methylthio)phenyl)ethan-1-one is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of anti-inflammatory and antimicrobial agents. It also serves as a precursor in the manufacture of fragrances and flavoring agents due to its aromatic properties. In agrochemical research, this compound is utilized to create novel pesticides and herbicides. Its reactivity with nucleophiles makes it valuable for organic transformations, such as Grignard reactions and reductions.

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 (100%): 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 (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.