Trimer cíclico de tereftalato de etileno - ≥98% , CAS No.7441-32-9

CAS: 7441-32-9 Cat. No.: E357179 Fórmula: C₃₀H₂₄O₁₂ Peso molecular: 576.50

GRADE & PURITY ≥98%

Synonyms

DTXSID801017127 | AS-62535 | 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.2?,(1)(1).2(1)?,(2)(1)]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone | 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O trímero cíclico de tereftalato de etileno polimeriza-se em poli(tereftalato de etileno) (PET). O trímero cíclico de tereftalato de etileno pode ser utilizado como indicador de migração de materiais activos para micro-ondas e fornos em alimentos e simuladores. O trímero cíclico de tereftalato de etileno também é conhecido como trímero cíclico de PET, ciclotris (tereftalato de etilenoglicol), trímero cíclico de ácido etilenoglicol-tereftálico e tereftalato de tris etileno.

Aplicações：

O trímero cíclico de tereftalato de etileno pode ser usado como indicadores de migração em alimentos e simuladores, para materiais ativos de micro-ondas

Specifications

Sinónimos

DTXSID801017127 | AS-62535 | 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.2?,(1)(1).2(1)?,(2)(1)]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone | 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504767770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767770
• Sorrisos canónicos: C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1
• IUPAC Name: 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone
• InChIKey: IICRGUKQYYOPIG-UHFFFAOYSA-N
• INCHI: 1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2
• SMILES isoméricas: C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1
• Peso molecular: 576.50
• Reaxy-Rn: 75056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=75056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 Phthalate esters
            • Level7 p-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives - Phthalate esters
• Direct Parent: p-Phthalate esters
• Alternative Parents: P-phthalic acid and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Para-phthalic acid ester - Para_phthalic_acid - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
• 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 576.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 576.127 Da
• Monoisotopic Mass: 576.127 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 767.000
• 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