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Atomfair Benzoic acid, 3-(1-methylethyl)- C10H12O2 CAS 5651-47-8

3-Isopropylbenzoic Acid (CAS No. 5651-47-8) is a high-purity organic compound with the molecular formula C10H12O2. This white crystalline solid is a derivative of benzoic acid, featuring an isopropyl substituent at the meta position. With a molecular weight of 164.20 g/mol, it is widely utilized in pharmaceutical synthesis, agrochemical research, and as a versatile intermediate in organic chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers to maintain stability. Ideal for researchers requiring precise aromatic carboxylic acids for coupling reactions, esterification, or ligand design.

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Description

3-Isopropylbenzoic Acid (CAS No. 5651-47-8) is a high-purity organic compound with the molecular formula C10H12O2. This white crystalline solid is a derivative of benzoic acid, featuring an isopropyl substituent at the meta position. With a molecular weight of 164.20 g/mol, it is widely utilized in pharmaceutical synthesis, agrochemical research, and as a versatile intermediate in organic chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers to maintain stability. Ideal for researchers requiring precise aromatic carboxylic acids for coupling reactions, esterification, or ligand design.

Properties

  • CAS Number: 5651-47-8
  • Complexity: 163
  • IUPAC Name: 3-isopropylbenzoic acid
  • InChI: InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
  • InChI Key: DLYVSJDCQZVKMD-UHFFFAOYSA-N
  • Exact Mass: 164.083729621
  • Molecular Formula: C10H12O2
  • Molecular Weight: 164.20
  • SMILES: CC(C)C1=CC(=CC=C1)C(=O)O
  • Topological: 37.3
  • Monoisotopic Mass: 164.083729621
  • Synonyms: Benzoic acid, 3-(1-methylethyl)-, DTXSID60205054, NSC 59899, DTXCID60127545, dlyvsjdcqzvkmd-uhfffaoysa-n, 3-Isopropylbenzoic acid, 5651-47-8, 3-propan-2-ylbenzoic acid, NISTC5651478, 3-(propan-2-yl)benzoic acid, MFCD09038906, 3-propane-2-ylbenzoic acid, m-isopropylbenzoic acid, 3-isopropyl-benzoic acid, 3-Isopropylbenzoic acid #, 3-(methylethyl)benzoic acid, SCHEMBL105264, SCHEMBL4957430, SCHEMBL7460109, SCHEMBL16960791, SCHEMBL21268360, SCHEMBL28827580, FAA65147, NSC59899, NSC-59899, SBB087804, AKOS013153976, PS-3682, SY139415, CS-0197290, 3-(Prop-2-yl)benzoic acid, 3-Carboxycumene, EN300-109202, Z1171158000

Application

3-Isopropylbenzoic acid serves as a key intermediate in the synthesis of fine chemicals and active pharmaceutical ingredients (APIs). It is employed in metallorganic frameworks (MOFs) due to its carboxylate functionality. Researchers also utilize it in agrochemical development for crop protection agents. Its structural properties make it valuable in material science for designing liquid crystals or polymers.

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.

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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