571177-68-9

Basic information

• Product Name: [6,6]-Phenyl C61 butyric acid octyl ester, >=99%
• Synonyms: [6,6]-Phenyl C61 butyric acid octyl ester, >=99%;[6,6]-Phenyl-C61 butyric acid octyl ester;1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61, [60]PCB-C8, PCBO;[6,6]-Phenyl-C61-butyric Acid n-Octyl Ester;[60]PCB-C8;1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61;PCBO;[6,6]-Phenyl-C61-butyric Acid n-Octyl Ester
• CAS NO: 571177-68-9
• Molecular Formula: C79H28O2
• Molecular Weight: 1009.09
• Mol File: 571177-68-9.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 2.16±0.1 g/cm3(Predicted)
• CAS DataBase Reference: [6,6]-Phenyl C61 butyric acid octyl ester, >=99%(CAS DataBase Reference)
• NIST Chemistry Reference: [6,6]-Phenyl C61 butyric acid octyl ester, >=99%(571177-68-9)
• EPA Substance Registry System: [6,6]-Phenyl C61 butyric acid octyl ester, >=99%(571177-68-9)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 571177-68-9(Hazardous Substances Data)

Usage

Uses

Soluble n-channel organic semiconductor.

Upstream product

• 99685-96-8 fullerene-C₆₀ 
• 571170-26-8 benzoylbutyric acid octyl ester p-tosylhydrazone 

Relevant articles and documents

Methanofullerenes used as electron acceptors in polymer photovoltaic devices

A series of [6,6]-phenyl C61-butyric acid esters, including methanofullerene [6,6]-phenyl C61-butyric acid methyl ester (PCBM) with different alkyl chain lengths (C1-C16) was synthesized from the reaction of C60 and alkyl 4-benzoylbutyrate p-tosylhydrazone in the presence of sodium methylate. The solubility of C 60 derivatives in organic solvents increased with the increase in the length of alkyl substitutions. Photovoltaic cells with these derivatives were fabricated with the structure of ITO/PEDT/MEH-PPV + C60 derivatives/ Ba/Al. Device performances with such PCBM analogues were investigated and discussed in terms of Donor/ Acceptor (D/A) phase separation and mobility of acceptor phase. The results clearly indicate that both interfacial properties of the two phases (donor and acceptor) and mobility of electrons and holes within corresponding phases play an important role in the efficiencies of PV cells. This study revealed that methanofullerenes [6,6]-phenyl C61-butyric acid butyl ester, PCBB, possesses better photosensitivity than the PCBM, a widely investigated and well-recognized C60 derivative for polymer PV cells The energy conversion efficiency reaches 2.84% for PCBB under AM1.5 illumination (78.2 mW/cm2), but 2.0% for PCBM fabricated in the same conditions.