Description

Methyl 4-(1-hydroxyethyl)benzoate (CAS No. 84851-56-9) is a high-purity organic compound with the molecular formula C₁₀H₁₂O₃. This ester derivative of benzoic acid features a hydroxyethyl functional group at the para position, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. With a molecular weight of 180.20 g/mol, it is commonly utilized in the synthesis of fine chemicals, liquid crystals, and advanced materials. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), and is supplied in sealed, light-resistant containers to maintain stability. Ideal for researchers in medicinal chemistry, material science, and catalysis, this compound offers exceptional versatility for functional group transformations and polymer applications.

Properties

• CAS Number: 84851-56-9
• Complexity: 171
• IUPAC Name: methyl 4-(1-hydroxyethyl)benzoate
• InChI: InChI=1S/C10H12O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7,11H,1-2H3
• InChI Key: KAXLTAULVFFCNL-UHFFFAOYSA-N
• Exact Mass: 180.078644241
• Molecular Formula: C10H12O3
• Molecular Weight: 180.20
• SMILES: CC(C1=CC=C(C=C1)C(=O)OC)O
• Topological: 46.5
• Monoisotopic Mass: 180.078644241
• Synonyms: Methyl 4-(1-hydroxyethyl)benzoate, 84851-56-9, 79322-76-2, DTXSID301000399, DTXCID801427362, 962-556-9, MFCD00216476, 4-(1-hydroxyethyl)benzoic acid methyl ester, 4-(1-hydroxy-ethyl)-benzoic acid methyl ester, methyl-4-(1-hydroxyethyl)benzoate, Benzoic acid, 4-(1-hydroxyethyl)-, methyl ester, SCHEMBL1516780, methyl 4-(hydroxyethyl)benzoate, SCHEMBL10610953, CEA68171, EFA44647, Methyl 4-(1-hydroxyethyl)benzoate #, AKOS016013043, FM67094, BS-17636, SY122925, racemic methyl 4-(1-hydroxyethyl)benzoate, CS-0154105, ST50405733, EN300-55837, Z816113634

Application

Methyl 4-(1-hydroxyethyl)benzoate serves as a key building block in the synthesis of liquid crystal displays (LCDs) due to its mesogenic properties. It is also employed in pharmaceutical research for the development of prodrugs and ester-based active pharmaceutical ingredients (APIs). Additionally, this compound finds use in polymer chemistry as a monomer for specialty polyesters with tailored thermal and optical characteristics.

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. 2A (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.