Description
4-Propoxybenzoic Acid (CAS No. 5438-19-7) is a high-purity organic compound with the molecular formula C10H12O3, widely utilized in pharmaceutical and chemical research. This white to off-white crystalline powder is characterized by its propoxy functional group attached to the para position of a benzoic acid moiety, offering unique reactivity and solubility properties. With a molecular weight of 180.20 g/mol, it is soluble in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), making it ideal for synthetic applications. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed packaging under inert conditions to guarantee stability. Suitable for use as an intermediate in organic synthesis, ligand design, and material science research.
Properties
- CAS Number: 5438-19-7
- Complexity: 160
- IUPAC Name: 4-propoxybenzoic acid
- InChI: InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
- InChI Key: GDFUWFOCYZZGQU-UHFFFAOYSA-N
- Exact Mass: 180.078644241
- Molecular Formula: C10H12O3
- Molecular Weight: 180.20
- SMILES: CCCOC1=CC=C(C=C1)C(=O)O
- Topological: 46.5
- Monoisotopic Mass: 180.078644241
- Synonyms: 4-Propoxybenzoic acid, 611-129-2, 5438-19-7, p-Propoxybenzoic acid, Benzoic acid, 4-propoxy-, 4-n-Propoxybenzoic acid, 4-Propoxy-benzoic acid, 4-n-Propyloxybenzoic acid, Benzoic acid, p-propoxy-, MFCD00013989, p-Propyloxybenzoic acid, 4-propoxy benzoic acid, p-carboxyphenoxy propane, p-n-Propoxybenzoic acid, Enamine_004326, p-(n-Propoxy)benzoic acid, MLS000776293, 4-Propoxybenzoic acid, 98%, SCHEMBL175191, CHEMBL112328, SCHEMBL1109902, DTXSID10202750, HMS1406E14, HMS2762C03, ALBB-000777, NSC16632, BBL034232, NSC 16632, NSC-16632, SBB006543, STK397538, AKOS000114308, FP61815, NCGC00246150-01, AS-50196, SMR000371296, SY015135, DB-001306, NS00121566, P0206, ST45046737, EN300-17041, O11281, Z56862795
Application
4-Propoxybenzoic Acid serves as a versatile building block in organic synthesis, particularly in the preparation of liquid crystals and pharmaceutical intermediates. Its propoxy group enhances lipophilicity, making it valuable in drug design for improved membrane permeability. Researchers also employ it in coordination chemistry as a ligand for metal-organic frameworks (MOFs) due to its carboxylate functionality.
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 (85.7%): 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%)
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