Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
Basic information
- CAS
10493-50-2- Standard SMILES
CC(C)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
BYOVXTQEHIZGIW-UHFFFAOYSA-N- Molecular formula
- C39H60O6
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 624.43898963
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
- IUPAC
- [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-dimethylpropyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- English name
- Bis[3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propionic acid]2,2-dimethyltrimethylene ester
- Molecular formula
- C39H60O6
- Molecular weight
- 624.9
Names & synonyms
2,2-Dimethyl-1,3-propanediyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)2,2-Dimethyl-1,3-propanediyl bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(2,2-dimethyl-1,3-propanediyl) esterBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester2,2-Dimethyl-1,3-propanediyl bis[3,5-di-tert-butyl-4-hydroxyhydrocinnamate]RefChem:56360610493-50-2Bis[3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propionic acid]2,2-dimethyltrimethylene ester2,2-Dimethylpropane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)2,2-dimethylpropane-1,3-diyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]BYOVXTQEHIZGIW-UHFFFAOYSA-N[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-dimethylpropyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Show more names
Neopentylglykol-bis-
SCHEMBL205264SCHEMBL10770519DTXSID30909274
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 832
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,2-Dimethyl-1,3-propanediyl bis[3,5-di-tert-butyl-4-hydroxyhydrocinnamate] (10493-50-2)
- 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 InformationBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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