Dioctyl terephthalate(DOTP) - ≥97% , CAS No.6422-86-2

CAS: 6422-86-2 Cat. No.: D107571 Formula: C₂₄H₃₈O₄ Molecular Weight: 390.56 EC Number: 229-176-9

GRADE & PURITY ≥97%

Synonyms

bis(2-ethylhexyl) benzene-1,4-dicarboxylate | di(2-ethylhexyl)terephthalate | Kodaflex DOTP | SCHEMBL110764 | CCRIS 7052 | NCGC00164195-02 | Tox21_300322 | diethylhexyl terephthalate | Q5279087 | Terephthalic acid, bis-2-ethylhexyl ester 100 microg/mL in

Storage

Room temperature

Shipped In

Normal

Overview

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

Synonyms

bis(2-ethylhexyl) benzene-1,4-dicarboxylate | di(2-ethylhexyl)terephthalate | Kodaflex DOTP | SCHEMBL110764 | CCRIS 7052 | NCGC00164195-02 | Tox21_300322 | diethylhexyl terephthalate | Q5279087 | Terephthalic acid, bis-2-ethylhexyl ester 100 microg/mL in

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

504753106

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753106

Canonical Smiles

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

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

WGK Germany

1

RTECS

WZ0883500

Molecular Weight

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
    • Class 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
• Class: 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
• Description: 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.49
• Flash Point(°F): 413.6℉
• Flash Point(°C): 212°C
• Boil Point(°C): 400°C
• Melt Point(°C): 34°C
• Molecular Weight: 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