Bis(2-hydroxyethyl) Terephthalate - ≥95% , CAS No.959-26-2

CAS: 959-26-2 Cat. No.: B419409 Fórmula: C₁₂H₁₄O₆ Peso molecular: 254.24 Beilstein Registry Number: 9(4)3310 Número EC: 213-497-6

GRADE & PURITY ≥95%

Synonyms

C8X | SCHEMBL26378 | Terephthalic acid, bis(2-hydroxyethyl) ester | ETHYLENE GLYCOL, TEREPHTHALATE (2:1) | TEREPHTHALICACIDBIS(2-HYDROXYETHYL)ESTER | 1,4-bis(hydroxyethyl) terephthalate | BS-49322 | J61IL5R964 | bis(2-hydroxyethyl) benzene-1,4-dicarboxyla

Storage

Argon charged

Shipped In

Normal

Descripción general

Bis(2-hydroxyethyl) terephthalate belongs to the class of monomers known as diols or glycols. It is widely used to synthesize unsaturated polyester resins, polyethylene terephthalate (PET), and new biocompatible polymer systems. BHET can also be used as a plasticizer in polyester resins and rigid or flexible polyurethanes. Additionally, BHET and its derivatives have also been investigated for their potential use in biomedical applications, including drug delivery and tissue engineering, due to their excellent biocompatibility and mechanical properties.

Application：

Bis(2-hydroxyethyl) terephthalate canbe used as a monomer to prepare biodegradable aromatic-aliphatic copolyestersfor sustainable flexible packaging applications. The incorporation of BHET as abuilding block offers a promising approach to enhancing the properties ofbiodegradable plastics and promoting sustainable packaging solutions.

Specifications

Sinónimos

C8X | SCHEMBL26378 | Terephthalic acid, bis(2-hydroxyethyl) ester | ETHYLENE GLYCOL, TEREPHTHALATE (2:1) | TEREPHTHALICACIDBIS(2-HYDROXYETHYL)ESTER | 1,4-bis(hydroxyethyl) terephthalate | BS-49322 | J61IL5R964 | bis(2-hydroxyethyl) benzene-1,4-dicarboxyla

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Ester of ethylene glycol and terephthalic acid. Used in the synthesis of branched polyethylene terephthalate.

Condiciones de almacenamiento de almacenamiento

Argon charged

Enviado en

Normal

Nota

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO

IUPAC Name

bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

InChIKey

QPKOBORKPHRBPS-UHFFFAOYSA-N

INCHI

1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

Isómeros SMILES

C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO

Peso molecular

254.24

Beilstein

9(4)3310

Reaxy-Rn

1915096

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915096&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 Benzoic acid esters Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic 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: Not miscible or difficult to mix in water.
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 106℃
• Peso molecular: 254.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 254.079 Da
• Monoisotopic Mass: 254.079 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 242.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 959-26-2, the molecular formula is C12H14O6, and the molecular weight is 254.24 g/mol. InChIKey QPKOBORKPHRBPS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.