Description

Methyl 4-Formylbenzoate (CAS No. 1571-08-0) is a high-purity aromatic ester-aldehyde compound with the molecular formula C₉H₈O₃. This white to off-white crystalline solid is a versatile building block in organic synthesis, particularly for pharmaceuticals, agrochemicals, and advanced materials. With a molecular weight of 164.16 g/mol, it features both an ester (methyl benzoate) and formyl (aldehyde) functional group on a benzene ring, enabling diverse reactivity. Ideal for Suzuki couplings, Grignard reactions, and condensation reactions. Packaged under inert gas to ensure stability, with ≥98% purity (GC). Store in a cool, dry place away from oxidizing agents.

Properties

• CAS Number: 1571-08-0
• Complexity: 169
• IUPAC Name: methyl 4-formylbenzoate
• InChI: InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
• InChI Key: FEIOASZZURHTHB-UHFFFAOYSA-N
• Exact Mass: 164.047344113
• Molecular Formula: C9H8O3
• Molecular Weight: 164.16
• SMILES: COC(=O)C1=CC=C(C=C1)C=O
• Topological: 43.4
• Monoisotopic Mass: 164.047344113
• Physical Description: Methyl-p-formylbenzoate appears as needles or white powder.
• Boiling Point: 509 °F at 760 mmHg
• Melting Point: 140 to 144 °F
• Solubility: less than 1 mg/mL at 72 °F
• Vapor Pressure: 0.0099 [mmHg]
• Synonyms: METHYL 4-FORMYLBENZOATE, 1571-08-0, Methyl p-formylbenzoate, 4-Carbomethoxybenzaldehyde, Benzoic acid, 4-formyl-, methyl ester, Methyl terephthalaldehydate, 4-(Methoxycarbonyl)benzaldehyde, Methyl-p-formyl benzoate, p-Carbomethoxybenzaldehyde, 4-Formylbenzoic Acid Methyl Ester, Methyl terephthaldehydate, Methyl benzaldehyde-4-carboxylate, Terephthalaldehydic acid, methyl ester, p-Formylbenzoic acid methyl ester, 4-Carboxybenzaldehyde methyl ester, 2-Methoxycarbonylbenzaldehyde, NSC 28459, CCRIS 6063, HSDB 5842, EINECS 216-385-5, p-(Methoxycarbonyl)benzaldehyde, DTXSID4025610, NH766742VV, NSC-28459, DTXCID005610, METHYL 4-FORMYLBENZOATE [HSDB], Methyl pformylbenzoate, pCarbomethoxybenzaldehyde, 4Carbomethoxybenzaldehyde, 4(Methoxycarbonyl)benzaldehyde, METHYL-P-FORMYLBENZOATE, Methyl benzaldehyde4carboxylate, pFormylbenzoic acid methyl ester, 4Carboxybenzaldehyde methyl ester, Benzoic acid, 4formyl, methyl ester, PARA(METHOXYCARBONYL)BENZALDEHYDE, 4-FORMYL BENZOIC ACID, METHYL ESTER, 216-385-5, inchi=1/c9h8o3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6h,1h, methyl4-formylbenzoate, MFCD00006950, p-Methoxycarbonylbenzaldehyde, methyl-4-formylbenzoate, Terephthalaldehydic Acid Methyl Ester, 4-formyl-benzoic acid methyl ester, CAS-1571-08-0, Methyl 4-FormYl-Benzoate, UNII-NH766742VV, methyl p formylbenzoate, Methyl 4-formylbezoate, methyl 4 formylbenzoate, p-carbomethoxybenzaldehye, 4-Carbmethoxybenzaldehyde, methyl-4-formyl-benzoate, 4-carbomethoxy benzaldehyde, 4-methoxycarbonylbenzaldehyde, SCHEMBL79533, SCHEMBL99157, 4-formyl benzoic acid methyl, MLS002415742, Methyl 4-formylbenzoate, 99%, 4-formylbenzoic acid methylester, CHEMBL1607943, methyl 4-formylbenzenecarboxylate, 4-HC(O)-C6H4-COOCH3, 4-formylbenzoic acid, methyl ester, ALBB-026582, NSC28459, STR02252, Tox21_202369, Tox21_303302, AB9721, BBL011959, SBB008362, STK199271, AKOS000268627, AS-5672, CS-W009013, FM29140, NCGC00091198-01, NCGC00091198-02, NCGC00091198-03, NCGC00091198-04, NCGC00257074-01, NCGC00259918-01, AC-23115, AC-24989, BP-12332, HY-78000, SMR001252203, SY003456, DB-012901, NS00021702, ST50208676, T0012, EN300-15457, Q27284866, Z18297598

Application

Methyl 4-Formylbenzoate serves as a key intermediate in synthesizing liquid crystals, photoactive compounds, and pharmaceutical scaffolds. Its aldehyde group facilitates Schiff base formation for coordination chemistry, while the ester moiety allows further derivatization. Researchers utilize it in the preparation of terephthalaldehyde analogs and as a precursor for fluorescent dyes.

Safety and Hazards

GHS Hazard Statements

• H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, 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. 4 (13.3%)
• Skin Irrit. 2 (40%)
• Eye Irrit. 2A (40%)
• STOT SE 3 (33.3%)

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