p-Cresol-d8

Base Information

• Chemical Name: p-Cresol-d8
• CAS No.: 190780-66-6
• Molecular Formula: C7D8 O
• Molecular Weight: 116.19
• European Community (EC) Number: 687-224-8
• Nikkaji Number: J2.123.194K
• Mol file: 190780-66-6.mol

Synonyms:p-Cresol-d8;190780-66-6;4-Methylphenol-d8;1,2,4,5-tetradeuterio-3-deuteriooxy-6-(trideuteriomethyl)benzene;p-Cresol-d8, 98 atom % D;SCHEMBL17926780;MFCD00145073;1-(?H?)methyl-4-[(?H)oxy](?H?)benzene;D99219;J-012324

Chemical Property of p-Cresol-d8

Chemical Property:

• Melting Point: 32-34 °C(lit.)
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 202 °C(lit.)
• Flash Point: 89 °C
• PSA: 20.23000
• Density: 1.126 g/mL at 25 °C(lit.)
• LogP: 1.70060
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.107728842
• Heavy Atom Count: 8
• Complexity: 62.8

Purity/Quality:

99% ^*data from raw suppliers

p-Cresol-d8 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 24/25-34-23/24/25
• Safety Statements: 36/37/39-45-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])O[2H])[2H]
• Uses: p-Cresol-d8 this compound is the labelled analog of a p-cresol (C781900) metabolite.