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Atomfair 4-Pentylbenzoic acid C12H16O2 CAS 26311-45-5

4-Pentylbenzoic Acid (CAS No. 26311-45-5) is a high-purity organic compound with the molecular formula C12H16O2. This aromatic carboxylic acid features a pentyl group at the para position of the benzoic acid ring, making it a valuable intermediate in organic synthesis and material science. With a molecular weight of 192.26 g/mol, it is commonly supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Ideal for researchers and industrial applications, this compound is rigorously tested for consistency, stability, and low trace metal content. Suitable for use in liquid crystal research, pharmaceutical development, and specialty chemical synthesis. Store in a…

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Description

4-Pentylbenzoic Acid (CAS No. 26311-45-5) is a high-purity organic compound with the molecular formula C12H16O2. This aromatic carboxylic acid features a pentyl group at the para position of the benzoic acid ring, making it a valuable intermediate in organic synthesis and material science. With a molecular weight of 192.26 g/mol, it is commonly supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Ideal for researchers and industrial applications, this compound is rigorously tested for consistency, stability, and low trace metal content. Suitable for use in liquid crystal research, pharmaceutical development, and specialty chemical synthesis. Store in a cool, dry place away from light and moisture to ensure prolonged shelf life.

Properties

  • CAS Number: 26311-45-5
  • Complexity: 169
  • IUPAC Name: 4-pentylbenzoic acid
  • InChI: InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
  • InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N
  • Exact Mass: 192.115029749
  • Molecular Formula: C12H16O2
  • Molecular Weight: 192.25
  • SMILES: CCCCCC1=CC=C(C=C1)C(=O)O
  • Topological: 37.3
  • Monoisotopic Mass: 192.115029749
  • Physical Description: White crystalline powder;
  • Synonyms: 4-Pentylbenzoic acid, Benzoic acid, 4-pentyl-, 4-n-Pentylbenzoic acid, 4-Amylbenzoic acid, p-Pentylbenzoic acid, p-Amylbenzoic acid, Para-Pentylbenzoic acid, BENZOIC ACID, p-PENTYL-, p-n-pentylbenzoic acid, NSC 169024, ET3KL92DDG, EINECS 247-607-9, BRN 2044798, p-n-Amylbenzoic acid, UNII-ET3KL92DDG, NSC-169024, DTXSID6067200, 3-09-00-02551 (Beilstein Handbook Reference), pAmylbenzoic acid, 4Amylbenzoic acid, pPentylbenzoic acid, 4nPentylbenzoic acid, Benzoic acid, ppentyl, ParaPentylbenzoic acid, Benzoic acid, 4pentyl, 4(nPentyl)benzoic acid, DTXCID6037489, 247-607-9, cwynkkgqjyahqg-uhfffaoysa-n, 26311-45-5, MFCD00002572, 4-(n-pentyl)benzoic acid, 4-pentyl benzoic acid, 4-pentyl-benzoic acid, 4-Pentylbenzoic acid, 99%, SCHEMBL290118, SCHEMBL2288154, SCHEMBL8759256, SCHEMBL9670352, NSC169024, SBB007808, AKOS002685614, CS-W010704, PS-8327, AC-18364, SY036128, A0741, NS00021085, ST50406501, H10741

Application

4-Pentylbenzoic acid is widely used as a key precursor in the synthesis of liquid crystals for display technologies. It serves as an intermediate in pharmaceutical research for the development of bioactive molecules. Additionally, this compound is employed in organic synthesis for the preparation of esters and other derivatives with tailored properties.

Safety and Hazards

GHS Hazard Statements

  • H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (98.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.2%): 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 (98.6%)
  • Eye Irrit. 2 (98.6%)
  • STOT SE 3 (97.2%)

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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