2,2'-Oxamidobis(ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
Basic information
- CAS
70331-94-1- Standard SMILES
CC(C)(C)c1cc(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
OXWDLAHVJDUQJM-UHFFFAOYSA-N- Molecular formula
- C40H60N2O8
- Average molar mass
- 696.9 g/mol
- Monoisotopic mass
- 696.43496688
Overview
Antioxidant is a group of organic or inorganic substances capable of preventing the genotoxic and carcinogenic effects of free-radical compounds. Antioxidants bind to and neutralize ('scavenge') free radicals, thereby transforming them into non-toxic compounds and blocking their genotoxic and carcinogenic effects. This class of agents includes the vitamins C and E, the carotenoids, and selenium. Organic antioxidants are found in high concentrations in fruits, seeds and vegetables.
Names & identifiers
- Preferred name
- 2,2'-Oxamidobis(ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
- IUPAC
- 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- English name
- Antioxidant MD-697
- Molecular formula
- C40H60N2O8
- Molecular weight
- 696.91
Names & synonyms
70331-94-1Naugard XL-1Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester2,2'-OXAMIDOBIS(ETHYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)2,2'-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]RefChem:391290274-572-7(Oxalylbis(azanediyl))bis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)ANTIOXIDANT MD-697(1,2-Dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)MFCD019408802-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Show more names
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) esterbis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)(1,2-Dioxoethylen)bis(iminoethylen)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat]3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzene-propanoic acid (1,2-dioxo-1,2-ethanediyl) bis(imino-2,1-ethanediyl) ester
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 990
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 11.48 · 11.48±0.46(Predicted)
- color
- White to Off-White
- Odor
- green dry woody fruity floral
- Water Solubility
- 1.5 μg/L · 1.5μg/L at 20℃
- InChIKey
- OXWDLAHVJDUQJM-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 46.5% (20 of 43) of reports.
H412 (34.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester
Hazard Traits - Bioaccumulation; Environmental Persistence
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: (1,2-dioxoethylene)bis(iminoethylene) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] (EC: 274-572-7)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester: Human health tier I assessment
Hazard Classes and Categories
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesAntioxidant
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Plastics Material and Resin Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester: ACTIVE
Applications
UsesAntioxidant MD-697 is used as an excellent stabilizer for polyolefin, polyurethane, ABS resin and other material products and communication cables.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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