Phenol-13C6

Base Information

• Chemical Name: Phenol-13C6
• CAS No.: 89059-34-7
• Molecular Formula: C₆H₆O
• Molecular Weight: 100.047
• European Community (EC) Number: 685-250-4
• DSSTox Substance ID: DTXSID90480397
• Wikidata: Q82315127
• Mol file: 89059-34-7.mol

Synonyms:Phenol-13C6;89059-34-7;PHENOL (13C6);(1,2,3,4,5,6-13C6)cyclohexatrienol;Phenol 13C6;SCHEMBL14134295;DTXSID90480397;Phenol-13C6, 99 atom % 13C;AKOS040756191;Phenol-1,2,3,4,5,6-13C6;Phenol-13C6 (9CI);[13C6]-Phenol;Phenol (13C6)

Chemical Property of Phenol-13C6

Chemical Property:

• Melting Point: 40-42 °C(lit.)
• Refractive Index: 1.553
• Boiling Point: 182 °C(lit.)
• Flash Point: 79 °C
• PSA: 20.23000
• Density: 1.139 g/mL at 25 °C
• LogP: 1.39220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.06199382
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

NLT 98% ^*data from raw suppliers

Phenol-13C6 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,C
• Statements: 23/24/25-34-48/20/21/22-68
• Safety Statements: 24/25-26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)O
• Isomeric SMILES: [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
• Uses: 13C-labelled Phenol (P318000).