Tereftalato de dioctilo - ≥97% , CAS No.6422-86-2

CAS: 6422-86-2 Cat. No.: D107571 Peso molecular: 390.56 Número EC: 229-176-9

GRADE & PURITY ≥97%

Synonyms

bis(2-etilhexil)benceno-1,4-dicarboxilato | di(2-etilhexil)tereftalato | Kodaflex DOTP | SCHEMBL110764 | CCRIS 7052 | NCGC00164195-02 | Tox21_300322 | tereftalato de dietilhexilo | Q5279087 | Ácido tereftálico, éster bis-2-etilhexílico 100 microg/mL en

Storage

Room temperature

Shipped In

Normal

Descripción general

Insoluble in water. DOTP, as the main plasticizer, has excellent electrical properties, good cold resistance, heat resistance, and pull-out resistance, and high plasticizing efficiency. Suitable as a plasticizer for polyvinyl chloride resin, such as polyvinyl chloride cable materials that require high insulation.

Specifications

Sinónimos

bis(2-etilhexil)benceno-1, 4-dicarboxilato | di(2-etilhexil)tereftalato | Kodaflex DOTP | SCHEMBL110764 | CCRIS 7052 | NCGC00164195-02 | Tox21_300322 | tereftalato de dietilhexilo | Q5279087 | Ácido tereftálico, éster bis-2-etilhexílico 100 microg/mL en

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753106
• Sonrisas canónicas: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
• IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate
• InChIKey: RWPICVVBGZBXNA-UHFFFAOYSA-N
• INCHI: 1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
• Isómeros SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
• WGK Alemania: 1
• RTECS: WZ0883500
• Peso molecular: 390.56
• Reaxy-Rn: 2302822
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2302822&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 Organooxygen compounds 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 - Organooxygen compound - 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.49
• Punto de inflamación (°F): 413.6℉
• Punto de inflamación (°C): 212°C
• Punto de ebullición (°C): 400°C
• Punto de fusión (°C): 34°C
• Peso molecular: 390.600 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 390.277 Da
• Monoisotopic Mass: 390.277 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Mei Li, Tianxiang Deng, Haiyang Ding, Na Yao, Lina Xu, Xiaohua Yang, Jianling Xia, Shouhai Li.  (2022)  Preparation and thermal stability of bio-based Na/Zn composite liquid stabilizers for poly(vinyl chloride).  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2022.109998]

3. Mei Wang, Shouhai Li, Haiyang Ding, Jianling Xia, Mei Li.  (2020)  Construction of efficient tung-oil-based thermal stabilizers bearing imide and epoxy groups for PVC.  NEW JOURNAL OF CHEMISTRY,  44  (11): (4538-4546).  [PMID:] [10.1039/C9NJ05777C]

4. Chen Jie, Liu Zengshe, Nie Xiaoan, Zhou Yonghong, Jiang Jianchun, Murray Rex E..  (2018)  Plasticizers derived from cardanol: synthesis and plasticization properties for polyvinyl chloride(PVC).  JOURNAL OF POLYMER RESEARCH,  25  (5): (1-14).  [PMID:] [10.1007/s10965-018-1524-4]

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