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Atomfair 5-Hexylbenzene-1,3-diol C12H18O2 CAS 5465-20-3

5-Hexylbenzene-1,3-diol (CAS No. 5465-20-3) is a high-purity organic compound with the molecular formula C12H18O2. This aromatic diol features a hexyl substituent at the 5-position of the benzene ring, making it a valuable intermediate for synthetic chemistry and material science applications. With a molecular weight of 194.27 g/mol, it is supplied as a fine white to off-white crystalline powder with ≥98% purity (HPLC). Ideal for researchers in pharmaceuticals, agrochemicals, and polymer science, this compound is rigorously tested for consistency, stability, and low trace metal content. Store under inert conditions (2-8°C) to prevent oxidation. Available in scalable quantities from milligrams to kilograms…

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Description

5-Hexylbenzene-1,3-diol (CAS No. 5465-20-3) is a high-purity organic compound with the molecular formula C12H18O2. This aromatic diol features a hexyl substituent at the 5-position of the benzene ring, making it a valuable intermediate for synthetic chemistry and material science applications. With a molecular weight of 194.27 g/mol, it is supplied as a fine white to off-white crystalline powder with ≥98% purity (HPLC). Ideal for researchers in pharmaceuticals, agrochemicals, and polymer science, this compound is rigorously tested for consistency, stability, and low trace metal content. Store under inert conditions (2-8°C) to prevent oxidation. Available in scalable quantities from milligrams to kilograms with optional custom packaging.

Properties

  • CAS Number: 5465-20-3
  • Complexity: 137
  • IUPAC Name: 5-hexylbenzene-1,3-diol
  • InChI: InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-11(13)9-12(14)8-10/h7-9,13-14H,2-6H2,1H3
  • InChI Key: XECRVULUEJSGBY-UHFFFAOYSA-N
  • Exact Mass: 194.130679813
  • Molecular Formula: C12H18O2
  • Molecular Weight: 194.27
  • SMILES: CCCCCCC1=CC(=CC(=C1)O)O
  • Topological: 40.5
  • Monoisotopic Mass: 194.130679813
  • Synonyms: 5-hexylbenzene-1,3-diol, 992-474-9, 5465-20-3, 1,3-Benzenediol, 5-hexyl-, NSC28994, MFCD24713601, 1, 5-hexyl-, 1-hexyl-3,5-dioxybenzene, 5-hexyl-benzene-1,3-diol, SCHEMBL70443, 5-Hexyl-1,3-benzenediol #, 1,3-Dihydroxy-5-hexylbenzene, SCHEMBL7495176, DTXSID00282965, XECRVULUEJSGBY-UHFFFAOYSA-N, FAA46520, NSC-28994, AS-77519, D93503, EN300-8801735, A1-38809, Z1513805694

5-Hexylbenzene-1,3-diol serves as a key building block in the synthesis of antioxidants, UV stabilizers, and specialty polymers. Its phenolic structure enables use in ligand design for catalytic systems or as a precursor for bioactive molecules in drug discovery. Researchers also employ it in studies of lipid peroxidation inhibition and as a model compound for analyzing alkyl-substituted phenolic derivatives.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • 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, 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 (100%)
  • 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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