o-Cresol-d8

Base Information

• Chemical Name: o-Cresol-d8
• CAS No.: 203645-65-2
• Molecular Formula: C7D8 O
• Molecular Weight: 116.076
• European Community (EC) Number: 687-223-2
• DSSTox Substance ID: DTXSID90583731
• Wikidata: Q82475334
• Mol file: 203645-65-2.mol

Synonyms:o-Cresol-d8;203645-65-2;Phen-2,3,4,5-d4-ol-d, 6-(methyl-d3)- (9CI);1,2,3,4-tetradeuterio-5-deuteriooxy-6-(trideuteriomethyl)benzene;2-Methylphenol-d8;2-Methylphenol D8;2-(~2~H_3_)Methyl(O-~2~H_5_)phenol;SCHEMBL13863642;DTXSID90583731;QWVGKYWNOKOFNN-IWRLGKISSA-N;1-Hydroxy-d-2-methyl-d3-benzene-d4;6-(methyl-d3)-Phen-2,3,4,5-d4-ol-d;o-Cresol-d8, 98 atom % D, 98% (CP);D98971;J-013249

Chemical Property of o-Cresol-d8

Chemical Property:

• Vapor Pressure: 0.379mmHg at 25°C
• Melting Point: 32-34oC(lit.)
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 191°C(lit.)
• Flash Point: 178°F
• PSA: 20.23000
• Density: 1.126g/mLat 25°C(lit.)
• LogP: 1.70060
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.107728842
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

o-Cresol-d8 98 atom % D, 98% (CP) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 24/25-34
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])O[2H])[2H])[2H]