(6,6)-Phenyl-C61 Butyric Acid Octyl Ester CAS #: 571177-68-9

Synonyms PCBO, (6,6)-Phenyl-C61 Butyric Acid n-Octyl Ester, [60]PCB-C8, 1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61

Compound Formula: C79H28O2 Molecular Weight: 1009.09 Appearance: Brown to black powder or chunks Melting Point: N/A Boiling Point: N/A Density: N/A Solubility in H2O: N/A Exact Mass: 1008.209 g/mol Monoisotopic Mass: 1008.209 g/mol Storage Temperature: 2-8 °C

Health & Safety Information Signal Word: N/A Hazard Statements: N/A Hazard Codes: N/A Risk Codes: N/A Safety Statements: N/A Transport Information: NONH for all modes of transport WGK Germany: 3

Chemical Identifiers Linear Formula: C79H28O2 Pubchem CID: 102601242 MDL Number: MFCD09265175 EC No.: N/A IUPAC Name: N/A SMILES: CCCCCCCCOC(=O)CCCC1(C23C14C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C%10C8=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C1C7=C%15C1=C%16C(=C%18C7=C2C2=C%10C(=C5C9=C42)C%11=C%12C%10=C%177)C3=C16)C%14=C%138)C1=CC=CC=C1 InchI Identifier: InChI=1S/C79H28O2/c1-2-3-4-5-6-10-16-81-18(80)14-11-15-77(17-12-8-7-9-13-17)78-73-66-59-47-39-30-21-19-20-22-25(21)34-41(39)49-50-42(34)40-31(22)33-29-24(20)27-26-23(19)28-32(30)45(47)53-51-37(28)35(26)43-44-36(27)38(29)52-54-46(33)48(40)60-62(50)71(70(73 InchI Key: LHWJWTVAEOPUKV-UHFFFAOYSA-N Packing of Standard Packing: Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Solutions are packaged in polypropylene, plastic or glass jars up to palletized 443 gallon liquid totes Special package is available on request.