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  • 684481 - [6,6]-Phenyl-C61 butyric acid octyl ester

684481 Sigma-Aldrich

[6,6]-Phenyl-C61 butyric acid octyl ester


Synonym: 1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61, PCBO, [60]PCB-C8

  • CAS Number 571177-68-9

  • Empirical Formula (Hill Notation) C79H28O2

  • Molecular Weight 1009.07

  •  PubChem Substance ID 24885807

  •  NACRES NA.23



Related Categories Acceptor Materials, Carbon Nanomaterials, Fullerene Acceptor Materials, Fullerenes, Materials Science,
Quality Level   100
description   functionalized fullerene
assay   ≥99%
SMILES string   CCCCCCCCOC(=O)CCCC2(c1ccccc1)[C]3=4c5c6c7c8c9c%10c(c%11c%12c3c%13c5c%14c%15c6c%16c7c%17c9c%18c%19c%10c%20c%11c%21c%12c%22c%13c%23c%14c%24c%15c%25c%16c%26c%17c%18c%27c%28c%19c%20c%29c%21c%30c%22c%23c%31c%24c%32c%25c%26c%27c%33c%28c%29c%30c%31c%32%33)[C]2=48



100 mg in glass insert


Soluble n-channel organic semiconductor.

Safety & Documentation

Safety Information

NONH for all modes of transport
WGK Germany 
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable


Certificate of Analysis (COA)

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Protocols & Articles


Development of Small Molecule Donors for Solution-Processed Organic Solar Cells

Abby-Jo Payne and Gregory C. Welch Dalhousie University, Department of Chemistry 6274 Coburg Road, Halifax, Nova Scotia, Canada B3H 4R2 Email: gregory.welch@dal.ca
Keywords: Absorption, Bacterial conjugations, Building blocks, Deposition, Infrared spectroscopy, Nucleic acid annealing, Phase transitions, Separation, Solar cells, Solvents, Substitutions

Fullerene-Based n-Type Semiconductors in Organic Electronics

Since the first publication in 1995 describing a bulk heterojunction photodiode incorporating a methanofullerene,1 significant progress has been made in improving device performance and the scope of ...
Dr. David Kronholm†, Prof. Dr. Jan C. Hummelen†,‡
Material Matters 2007, 2.3, 16.
Keywords: Absorption, Crystallization, Electronics, Elemental analysis, Evaporation, Filtration, Infrared spectroscopy, Magnetic resonance spectroscopy, Mass spectrometry, Nanotechnology, Nucleic acid annealing, Organic electronics, Photovoltaics, Precipitation, Recombination, Semiconductor, Separation, Solvents, Sonication, Spectroscopy

Fullerenes for Bioscience & Photovoltaic Applications

Twenty-five years ago, it was discovered that carbon vapor preferentially condenses into an exceedingly stable cluster with 60 carbon atoms (C60), and it was hypothesized that the 60 atoms were arran...
Michael D. Diener

TDA Research
12345 W52nd Ave, Wheat Ridge, CO 80033
Keywords: AGE, Analytical Chemistry, Antivirals, Combustion, Cosmetics, Electronics, Magnetic resonance imaging, Mass spectrometry, Nanomaterials, Organic electronics, Photovoltaics, Polymerization reactions, Reductions, Semiconductor, Solar cells, Solvents, Transfection, Vitamins

Optoelectronic Devices Based on Diketopyrrolopyrrole (DPP)-containing Conjugated Small Molecules

Optoelectronic devices such as light-emitting diodes (LEDs), solar cells, and light-emitting field effect transistors (FETs) that utilize organic materials as their light harvesting and/or charge tra...
Jianhua Liu and Thuc-Quyen Nguyen
Material Matters 7.1
Keywords: Absorption, Alkylations, Applications, Bacterial conjugations, Biochemistry, Brominations, Building blocks, Capabilities, Nucleic acid annealing, Nucleic acid hybridization, Purification, Recombination, Solar cells, Solvents, Spectra, Spectroscopy, Stille coupling, Support, Suzuki coupling, Type, Ultraviolet-Visible spectroscopy

Organic Photovoltaic Applications for IoT, Architecture, and Wearables

1Merck Chemicals Ltd, Chilworth Technical Centre, University Parkway, Southampton. SO16 7QD, U.K. 2Merck KGaA, Frankfurter Str. 250, 64293 Darmstadt I Germany 3Merck Selbstmedikation GmbH, Frankfurte...
Graham Morse,1 Richard Harding,1 Nicolas Blouin,2 Hannah Buerckstrummer2
Not pictured: Agnieszka Pron,1 Stephan Wieder,2 David Mueller,2 and Stephane Berny3
Material Matters, 2017, 12.3
Keywords: Absorption, Alternative energy, Catalysis, Coupling reactions, Cross couplings, Deposition, Environmental, Indicators, Industries, PAGE, Photovoltaics, Polymerization reactions, Positron Emission Tomography, Purification, Safety industry, Semiconductor, Separation, Solar cells, Solvents

PCBM-Based n-Type Semiconductors

Unique chemistry and physics of fullerene (C60) materials continue to stimulate advances in applied and fundamental science. Fullerenes are known as excellent electron acceptors and can be chemically...
Keywords: Absorption, Diffusion, Electronics, Organic electronics, Photosynthesis, Reductions, Semiconductor, Solar cells, Solvents

Polymer-Sorted Semiconducting Carbon Nanotubes for Transistors and Solar Cells

Matthew J. Shea,1 Gerald J. Brady,1 Juan Zhao,1,2 Meng-Yin Wu,3 Harold T. Evensen,3 Michael S. Arnold1* 1Department of Materials Science and Engineering, University of Wisconsin-Madison, USA 2School ...
Keywords: Absorption, Chemical vapor deposition, Chromatography, Column chromatography, Deposition, Diffusion, Materials Science, Microscopy, Nanotubes, Renewable energy, Scanning electron microscopy, Semiconductor, Separation, Solar cells

Soluble Pentacene Precursors

In order to introduce un-functionalized pentacene within a device such as an organic field effect transistor (OFET), soluble pentacene precursors, which readily transform into pentacene upon heating ...
Prof. Cherie R. Kagan

Associate Professor, Department of Materials Science and Engineering,
University of Pennsylvania, Philadelphia, PA 19104
Keywords: Deposition, Evaporation, Semiconductor, Size-exclusion chromatography

Peer-Reviewed Papers


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