Bis(2-hydroxyethyl) Terephthalate (BHET) - ≥85%(HPLC) , CAS No.959-26-2

CAS: 959-26-2 Cat. No.: B151821 Formula: C₁₂H₁₄O₆ Peso molecolare: 254.24 Beilstein Registry Number: 9(4)3310 Numero EC: 213-497-6

GRADE & PURITY ≥85%(HPLC)

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) terephthalate # | bis(2

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Bis(2-hydroxyethyl) Terephthalate is used in the synthesis of branched polyethylene terephthalate.

Bis(2-hydroxyethyl) terephthalate belongs to a class of monomers known as diols or ethylene glycol derivatives. It's widely used in the synthesis of unsaturated polyester resins, polyethylene terephthalate (PET), and new biocompatible polymer systems. BHET can also be used as a plasticizer for polyester resins and rigid or flexible polyurethanes. Additionally, due to its excellent biocompatibility and mechanical properties, BHET and its derivatives are being researched for biomedical applications, including drug delivery and tissue engineering.

Specifications

Sinonimi

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) terephthalate # | bis(2

Specifiche e purezza

≥85%(HPLC)

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

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.

Purezza

≥85%(HPLC)

Nomi e identificatori

Pubchem Sid

488181901

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181901

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • 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 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Not miscible or difficult to mix in water；(soluble) in alcohol
• Sensibilità: Air sensitive
• Punto di fusione (°C): 106℃
• Peso molecolare: 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