Chemical Properties of Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl- (CAS 90-68-6)

Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-

InChI
InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3
InChI Key
LKALLEFLBKHPTQ-UHFFFAOYSA-N
Formula
C31H40O3
SMILES
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1
Molecular Weight1
460.65
CAS
90-68-6
Other Names
  • Antioxidant 80
  • Mesitol, «alpha»2,«alpha»6-bis(5-tert-butyl-6-hydroxy-m-tolyl)-
  • p-Cresol, 2,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)
  • 2,6-bis[[3-(tert-butyl)-2-hydroxy-5-tolyl]methyl]-4-methylphenol
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Physical Properties

Property Value Unit Source
ΔfH°gas -501.14 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 58.36 kJ/mol Joback Calculated Property
ΔvapH° 186.53 kJ/mol Relay (1.0) Calculated Property
IE 7.19 eV Relay (1.0) Calculated Property
logPoct/wat 7.505 Crippen Calculated Property
McVol 393.980 ml/mol McGowan Calculated Property
Tboil 701.11 K Relay (1.0) Calculated Property
Tfus 429.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1487.61; 1779.98] J/mol×K [1254.20; 1535.75] Show Hide
Cp,gas 1487.61 J/mol×K 1254.20 Joback Calculated Property
Cp,gas 1526.20 J/mol×K 1301.12 Joback Calculated Property
Cp,gas 1568.17 J/mol×K 1348.05 Joback Calculated Property
Cp,gas 1614.01 J/mol×K 1394.97 Joback Calculated Property
Cp,gas 1664.26 J/mol×K 1441.90 Joback Calculated Property
Cp,gas 1719.41 J/mol×K 1488.82 Joback Calculated Property
Cp,gas 1779.98 J/mol×K 1535.75 Joback Calculated Property
η [1.3433179e-10; 2.7645638e-09] Pa×s [933.51; 1254.20] Show Hide
η 2.7645638e-09 Pa×s 933.51 Joback Calculated Property
η 1.4569488e-09 Pa×s 986.96 Joback Calculated Property
η 8.2005658e-10 Pa×s 1040.41 Joback Calculated Property
η 4.8824239e-10 Pa×s 1093.86 Joback Calculated Property
η 3.0507757e-10 Pa×s 1147.30 Joback Calculated Property
η 1.9877703e-10 Pa×s 1200.75 Joback Calculated Property
η 1.3433179e-10 Pa×s 1254.20 Joback Calculated Property

Similar Compounds

3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-. 4,4'-Methylenebis(6-tert-butyl-o-cresol). P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-. Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-. 2-TERT-BUTYL-4-METHYL-6-(A-METHYLBENZYL)PHENOL. 2,2'-Ethylidenebis(4,6-di-tert-butylphenol). 2,2'-methylenebis[6-(1-methylcyclohexyl)-p-cresol]. P-cresol, 2,2'-ethylidene bis(6-(1-methylcyclohexyl))-. 6-t-Butyl-2,4-dimethylphenol. 2-(«alpha»-Methylbenzyl)-p-cresol. 2,4-Bis(dimethylbenzyl)-6-t-butylphenol. Phenol, 4,4'-butylidene bis(2,6-di-tert-butyl)-. 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol. Phenol, 2,4-bis(1-phenylethyl)-.

Find more compounds similar to Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-.

Sources

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