Description

3-Hexylthiophene (CAS No. 1693-86-3) is a high-purity organic compound with the molecular formula C₁₀H₁₆S, widely used in advanced materials research and semiconductor applications. This alkyl-substituted thiophene derivative is a critical building block for conductive polymers, particularly in the synthesis of poly(3-hexylthiophene) (P3HT), a cornerstone material in organic electronics. Our ≥99% pure grade ensures optimal performance in thin-film transistors (TFTs), organic photovoltaics (OPVs), and flexible electronics. The hexyl side chain enhances solubility in common organic solvents, facilitating solution processing for spin-coating and inkjet printing. Each batch undergoes rigorous QC testing (GC, NMR) to guarantee consistency for sensitive research applications. Available in amber glass vials under inert atmosphere to prevent degradation.

Properties

• CAS Number: 1693-86-3
• Complexity: 90.9
• IUPAC Name: 3-hexylthiophene
• InChI: InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3
• InChI Key: JEDHEMYZURJGRQ-UHFFFAOYSA-N
• Exact Mass: 168.09727168
• Molecular Formula: C10H16S
• Molecular Weight: 168.30
• SMILES: CCCCCCC1=CSC=C1
• Topological: 28.2
• Monoisotopic Mass: 168.09727168
• Synonyms: 3-Hexylthiophene, 1693-86-3, DTXSID20340733, DTXCID40291814, 629-237-3, jedhemyzurjgrq-uhfffaoysa-n, 3-n-Hexylthiophene, Thiophene, 3-hexyl-, MFCD00143181, 3-hexylthiophen, 3-hexyl-thiophene, SCHEMBL27647, 3-Hexylthiophene, >=99%, SCHEMBL316013, SCHEMBL2021645, SCHEMBL2044231, SCHEMBL2091328, SCHEMBL5376649, SCHEMBL17667491, BBL102713, GEO-01495, STL556519, AKOS005257744, AC-4501, CS-W004388, FH09764, SB66471, AS-19031, DB-005299, H0756, ST50306942, EN300-95564

3-Hexylthiophene serves as a key monomer for synthesizing regioregular P3HT, enabling high hole mobility (0.1 cm²/V·s) in organic field-effect transistors (OFETs). Its extended π-conjugation system makes it ideal for bulk heterojunction solar cells when blended with PCBM derivatives. The compound’s balanced solubility and processability support layer-by-layer fabrication of flexible electronic devices. Researchers also utilize it as a model system for studying charge transport mechanisms in conjugated polymers.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (95.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (90.9%)
• Acute Tox. 4 (90.9%)
• Skin Irrit. 2 (95.5%)
• Eye Irrit. 2 (95.5%)
• Acute Tox. 4 (95.5%)
• STOT SE 3 (95.5%)

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