chempirical

Antioxidant 245

C34H50O8CAS 36443-68-2586.77 g/mol

Open in Covalent MOL file
OOOOOOOHHO
EsterEtherPhenol

Properties

Molecular formula
C34H50O8
Molar mass
586.77 g/mol
Exact mass
586.3506 Da
logP
5.99Crippen estimate
Polar surface area
111.5 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
15

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 607 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
36443-68-2
SMILES
Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey
QSRJVOOOWGXUDY-UHFFFAOYSA-N
InChI
InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

45 names · show all
  • Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
  • Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
  • 1,1′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] bis[3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate]
  • Triethylene glycol bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate]
  • Irganox 245
  • Triethylene glycol bis[3-(3-tert-butyl-5-methyl-4-hydroxyphenyl)propionate]
  • Irganox 295
  • Triethylene glycol bis[β-(3-tert-butyl-5-methyl-4-hydroxyphenyl)propionate]
  • Triethylene glycol bis-[3-(3′-tert-butyl-4′-hydroxy-5′-methylphenyl)propionate]
  • TK 12627
  • Triethylene glycol bis[β-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate]
  • IR 245
  • Tominox 917
  • Tominokusu 917
  • ADK Stab AO 70
  • AO 70
  • Selosol J 162
  • Irganox I 245
  • AO 245
  • Stabiace PH 2450
  • PH 2450
  • Triethylene glycol bis[β-(5-tert-butyl-4-hydroxy-3-methylphenyl)propionate]
  • Ethylenebis(oxyethylene) bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate]
  • Hostanox 245
  • TH 245
  • Chemnox 245
  • KY 586
  • Ethylenebis(oxyethylene)bis(3-tert-butyl-4-hydroxy-5-methylbenzenepropanoate)
  • KY 2080
  • Songnox 245
  • IRG 245
  • Songnox 2450FF
  • Lowinox GP 45
  • Chinox 245
  • XH 245
  • Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate
  • AT 245
  • Irganox 245FF
  • IG 245
  • Ethylenebis(oxyethylene)bis-(3-(5-tert-butyl-4-hydroxy-m-tolyl)-propionate)
  • Antioxidant 2450
  • I 245
  • Rianox 245
  • Triethylene glycol bis-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate]
  • 3-(1,1-Dimethylethyl)-4-hydroxy-5-methylbenzenepropanoic acid, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester

Work with Antioxidant 245

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

Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)41484-35-966 % similar 3,9-Bis(2-(3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy)-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro(5.5)undecane90498-90-165 % similar Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-863 % similar Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate2082-79-362 % similar 2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]70331-94-162 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-559 % similar Isotridecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate847488-62-459 % similar Chiguard 5530104810-47-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook