Ciclotris(tereftalato de 1,4-butileno) - ≥98% , CAS No.63440-94-8

CAS: 63440-94-8 Cat. No.: C342717 Peso molecular: 660.66 Número EC: 862-627-3

GRADE & PURITY ≥98%

Synonyms

EN300-20177691 | Cyclotris(1,4-butylene Terephthalate) | FT-0665419 | PBT Cyclic Trimer | 3,8,15,20,27,32-hexaoxatetracyclo[32.2.2.2^{10,13}.2^{22,25}]dotetraconta-1(36),10,12,22,24,34,37,39,41-nonaene-2,9,14,21,26,33-hexone | 3,8,15,20,27,32-Hexaoxatetra

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Aplicación

El ciclotris(tereftalato de 1,4-butileno) es un trímero cíclico del poli(tereftalato de butileno), un polímero termoplástico de ingeniería.

Specifications

Sinónimos

EN300-20177691 | Cyclotris(1, 4-butylene Terephthalate) | FT-0665419 | PBT Cyclic Trimer | 3, 8, 15, 20, 27, 32-hexaoxatetracyclo[32.2.2.2^{10, 13}.2^{22, 25}]dotetraconta-1(36), 10, 12, 22, 24, 34, 37, 39, 41-nonaene-2, 9, 14, 21, 26, 33-hexone | 3, 8, 15, 20, 27, 32-Hexaoxatetra

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769163
• Sonrisas canónicas: C1CCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OCCCCOC(=O)C4=CC=C(C=C4)C(=O)OC1
• IUPAC Name: 3,8,15,20,27,32-hexaoxatetracyclo[32.2.2.210,13.222,25]dotetraconta-1(37),10,12,22(40),23,25(39),34(38),35,41-nonaene-2,9,14,21,26,33-hexone
• InChIKey: HRNLXZWSSMMFMP-UHFFFAOYSA-N
• INCHI: 1S/C36H36O12/c37-31-25-7-9-27(10-8-25)33(39)45-21-3-4-23-47-35(41)29-15-17-30(18-16-29)36(42)48-24-6-5-22-46-34(40)28-13-11-26(12-14-28)32(38)44-20-2-1-19-43-31/h7-18H,1-6,19-24H2
• Isómeros SMILES: C1CCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OCCCCOC(=O)C4=CC=C(C=C4)C(=O)OC1
• Peso molecular: 660.66
• Reaxy-Rn: 14329441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14329441&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
• Punto de fusión (°C): 158-162° C
• Peso molecular: 660.700 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 660.221 Da
• Monoisotopic Mass: 660.221 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 848.000
• 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