Propanoic acid, 3,3'-(1,2-ethanediylbis(thio))bis(2-methyl-, 1,1'-bis(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,2-dimethylpropyl) ester
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Basic information
- CAS
62546-75-2- Standard SMILES
CC(CSCCSCC(C)C(=O)OCC(C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC(C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
ZZZJYMQEUKEZGV-UHFFFAOYSA-N- Molecular formula
- C48H78O6S2
- Average molar mass
- 815.3 g/mol
- Monoisotopic mass
- 814.52398255
Names & identifiers
- Preferred name
- Propanoic acid, 3,3'-(1,2-ethanediylbis(thio))bis(2-methyl-, 1,1'-bis(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,2-dimethylpropyl) ester
- IUPAC
- [3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 3-[2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropoxy]-2-methyl-3-oxopropyl]sulfanylethylsulfanyl]-2-methylpropanoate
- English name
- 3,3'-[1,2-Ethanediylbis(thio)]bis[2-methylpropanoic acid]bis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2,2-dimethylpropyl] ester
- Molecular formula
- C48H78O6S2
- Molecular weight
- 815.26
Names & synonyms
Bis(2,2-dimethyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl) 2,9-dimethyl-4,7-dithiadecanedioateDTXSID00886482Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl) 3,3'-(1,2-ethanedylbis(thio)bis(2-methylpropionate)Propanoic acid, 3,3'-(1,2-ethanediylbis(thio))bis(2-methyl-, 1,1'-bis(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,2-dimethylpropyl) esterPropanoic acid, 3,3'-(1,2-ethanediylbis(thio))bis(2-methyl-, bis(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,2-dimethylpropyl) esterPropanoic acid, 3,3'-[1,2-ethanediylbis(thio)]bis[2-methyl-, 1,1'-bis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2,2-dimethylpropyl] esterBis[3,5-di-tert-butyl-4-hydroxyphenyl]-2,2-dimethylpropyl] 3,3'-[1,2-ethanedylbis(thio)bis[2-methylpropionate]RefChem:869317DTXCID90102580662546-75-2ZZZJYMQEUKEZGV-UHFFFAOYSA-NBis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 2,2'-[ethane-1,2-diylbis(sulfanediylmethylene)]dipropanoate
Properties
Computed structural propertiesFilling in
- XLogP
- 14.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 23
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- EPA Substance Registry System
- 3 · Bis[3,5-di-tert-butyl-4-hydroxyphenyl]-2,2-dimethylpropyl] 3,3'-[1,2-ethanedylbis(thio)bis[2-methylpropionate] (62546-75-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3,3'-[1,2-ethanediylbis(thio)]bis[2-methyl-, 1,1'-bis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2,2-dimethylpropyl] ester: INACTIVE
Related reactions
0 records
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Compound notes
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