Butylated hydroxytoluene-d21

Base Information

• Chemical Name: Butylated hydroxytoluene-d21
• CAS No.: 64502-99-4
• Molecular Formula: C15H3 D21 O
• Molecular Weight: 241.48
• European Community (EC) Number: 689-504-5
• DSSTox Substance ID: DTXSID30583750
• Wikidata: Q82475354
• Mol file: 64502-99-4.mol

Synonyms:64502-99-4;Butylated hydroxytoluene-d21;2,6-Di-tert-butyl-4-methylphenol D21;1,5-dideuterio-3-deuteriooxy-2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylbenzene;2,6-di(tert-butyl)-4-methylphenol D21 (BHT D21) 1000 microg/mL in Methanol;Phen-3,5-d2-ol-d, 2,6-bis[1,1-di(methyl-d3)ethyl-2,2,2-d3]-4-methyl- (9CI);Butylhydroxytoluene-d21;d21-2,6-di(tert-butyl)-4-methylphenol;BHT-d21;HY-Y0172S;DTXSID30583750;CS-0542627;D99065;2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD;2,6-Di(tert-butyl-d9)-4-methyl(phenol-3,5,O-d3), >=98 atom % D, >=98% (CP);4-Methyl-2,6-bis[2-(~2~H_3_)methyl(~2~H_6_)propan-2-yl](O-~2~H_3_)phenol;5-methyl-1,3-bis[2-(?H?)methyl(1,1,1,3,3,3-?H?)propan-2-yl]-2-[(?H)oxy](?H?)benzene

Chemical Property of Butylated hydroxytoluene-d21

Chemical Property:

• Melting Point: 69-71 °C(lit.)
• Boiling Point: 265 °C(lit.)
• PSA: 20.23000
• LogP: 4.29560
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 241.314527050
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

99%, ^*data from raw suppliers

2,6-DI-(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5-D2,OD 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 20/21/22-36/37/38-51/53-36/38-22
• Safety Statements: 7-22-26-37/39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])C
• Uses: 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD (CAS# 64502-99-4) is a useful isotopically labeled research compound.