Diethyl P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate

C19H33O4PCAS 976-56-7356.44 g/mol

Open in Covalent MOL file
OPOOHO
PhenolPhosphonate

Properties

Molecular formula
C19H33O4P
Molar mass
356.44 g/mol
Exact mass
356.2116 Da
Melting point
112–114 °C
logP
5.75Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 109 ECHA notifiers. Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
976-56-7
SMILES
CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC
InChIKey
GJDRKHHGPHLVNI-UHFFFAOYSA-N
InChI
InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3

Weigh it out

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Names and synonyms

15 names · show all
  • Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester
  • Phosphonic acid, (3,5-di-tert-butyl-4-hydroxybenzyl)-, diethyl ester
  • Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester
  • Diethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate
  • Irganox 1222
  • NSC 635180
  • Diethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methanephosphonate
  • Irgamod 295
  • Diethyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
  • Heat stabilizer 3114
  • Antioxidant 1222
  • (3,5-Di-tert-butyl-4-hydroxy-benzyl)-phosphonic acid diethyl ester
  • P-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylphosphonic acid diethyl ester
  • Antioxidant 122
  • Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate

Work with Diethyl P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Irganox 142565140-91-267 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-753 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-151 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-650 % similar 4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-150 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-549 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-648 % similar 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile1611-07-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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