(oxalilbis(azanediil))bis(etano-2,1-diil) bis(3-(3,5-di-terc-butil-4-hidroxifenil)propanoato) - ≥97% , CAS No.70331-94-1

CAS: 70331-94-1 Cat. No.: O194682 Peso molecular: 696.91 Número EC: 274-572-7

GRADE & PURITY ≥97%

Synonyms

(1,2-dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-t-butyl-4-hydroxyphenyl)propionate) | (E)-Hex-2-enyl propionate | Antioxidant | EINECS 274-572-7 | 2,2 inverted exclamation mark -oxamidobis[ethyl 3-(3,5-di-t-butyl-4-hydroxyphenyl) propionate], Naugard

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

(1, 2-dioxoethylene)bis(iminoethylene) bis(3-(3, 5-di-t-butyl-4-hydroxyphenyl)propionate) | (E)-Hex-2-enyl propionate | Antioxidant | EINECS 274-572-7 | 2, 2 inverted exclamation mark -oxamidobis[ethyl 3-(3, 5-di-t-butyl-4-hydroxyphenyl) propionate], Naugard

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504756188
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756188
• Sonrisas canónicas: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
• IUPAC Name: 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• InChIKey: OXWDLAHVJDUQJM-UHFFFAOYSA-N
• INCHI: 1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)
• Isómeros SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
• Peso molecular: 696.91
• Reaxy-Rn: 11514866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11514866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Phenylpropanes Phenols Fatty acid esters Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Phenylpropane - Fatty acid ester - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Acetone
• Punto de fusión (°C): 180 °C
• Peso molecular: 696.900 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 18
• Exact Mass: 696.435 Da
• Monoisotopic Mass: 696.435 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 990.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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2. Jianbin Li, Yueling Chen, Jie Sun, Sheng Zhang, Jingbiao Ye, Ying Jin, Zhengqiu Li, Baoshu Chen.  (2023)  Flame retardant behavior of multi-scale layered PBT/IFR composites.  POLYMER TESTING,      [PMID:] [10.1016/j.polymertesting.2023.107968]

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7. Meng Chihan, Wu Wenhui, Yang Yuhao, Li Hongjiao, Zhong Jiachun, Pu Zejun.  (2025)  Comparative analysis of the structure and properties of high-temperature resistant polyamide PA6T/66 and PA5T/56.  JOURNAL OF POLYMER RESEARCH,  32  (3): (1-11).  [PMID:] [10.1007/s10965-025-04303-5]

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11. Shujuan Yu, Xiang Deng, Cailong Deng, Jing Xia, Qilong Li.  (2024)  Synthesis of Novel Broad-Spectrum Chitosan Polymer Carbon Dots-Based Ultraviolet Absorbers and Their Application in Natural Rubber.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.56609]

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