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Atomfair [4-[2-(4-Propylphenyl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate C33H34O5 CAS 289478-40-6

[4-[2-(4-Propylphenyl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (CAS: 289478-40-6) is a high-purity synthetic ester compound with the molecular formula C33H34O5. This specialized chemical features a unique molecular structure combining a propylphenyl ethynyl group with a benzoate ester linked via a hexoxy spacer terminated with a propenoyloxy moiety. The compound’s rigid yet flexible architecture makes it particularly valuable for advanced material […]

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Description

[4-[2-(4-Propylphenyl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (CAS: 289478-40-6) is a high-purity synthetic ester compound with the molecular formula C33H34O5. This specialized chemical features a unique molecular structure combining a propylphenyl ethynyl group with a benzoate ester linked via a hexoxy spacer terminated with a propenoyloxy moiety. The compound’s rigid yet flexible architecture makes it particularly valuable for advanced material science applications. Available in >95% purity by HPLC, this product is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability. Researchers should handle this material with appropriate PPE due to its potential as a skin and eye irritant.

Properties

  • CAS Number: 289478-40-6
  • Complexity: 768
  • IUPAC Name: [4-[2-(4-propylphenyl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
  • InChI: InChI=1S/C33H34O5/c1-3-9-26-10-12-27(13-11-26)14-15-28-16-20-31(21-17-28)38-33(35)29-18-22-30(23-19-29)36-24-7-5-6-8-25-37-32(34)4-2/h4,10-13,16-23H,2-3,5-9,24-25H2,1H3
  • InChI Key: XRBDPPOQVFXEOG-UHFFFAOYSA-N
  • Exact Mass: 510.24062418
  • Molecular Formula: C33H34O5
  • Molecular Weight: 510.6
  • SMILES: CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C
  • Topological: 61.8
  • Monoisotopic Mass: 510.24062418
  • Synonyms: 289478-40-6, SCHEMBL17147727, DTXSID301338112, Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-[2-(4-propylphenyl)ethynyl]phenyl ester

Application

This compound serves as a key intermediate in the synthesis of advanced liquid crystalline materials for optoelectronic applications. Researchers utilize its unique structure in developing photo-responsive polymers with tunable mesomorphic properties. The propenoyloxy terminus enables further functionalization through radical polymerization or Michael addition reactions. Potential applications include smart coatings, optical storage devices, and electro-optic modulators where precise molecular alignment is critical.

Safety and Hazards

GHS Hazard Statements

  • H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

  • P273, and P501

Hazard Classes and Categories

  • Aquatic Chronic 4 (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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