Dicyclohexyl phthalate(DCHP) - ≥99% , CAS No.84-61-7

CAS: 84-61-7 Cat. No.: D108627 Fórmula: C₂₀H₂₆O₄ Peso molecular: 330.42 Beilstein Registry Number: 1889288 Número CE: 201-545-9

GRADE & PURITY ≥99%

Synonyms

1,2-Benzenedicarboxylic acid, dicyclohexyl ester | SCHEMBL29302 | Dicyclohexylphthalate | W-104111 | CAS-84-61-7 | UNII-CGD15M7H2N | CHEBI:34693 | 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester | DICYCLOHEXYL PHTHALATE [HSDB] | NSC6101 | NSC-6101 |

Storage

Room temperature

Shipped In

Normal

Visão geral

Product Introduction

Dicyclohexyl phthalate (DCHP) is a phthalate ester that is mainly used as a plasticizer in the plastics and packaging industry.

Product Usage

DCHP modified multi-walled carbon nanotubes (MWCNTs) may be used to functionalize screen printed electrodes in biosensor based applications. It may also be used as a reference standard for the determination of dicyclohexyl phthalate in aquatic matrices by ultra-high performance liquid chromatography coupled to hybrid Q-orbitrap mass spectrometry(UHPLC-HRMS).

Specifications

Sinónimos

1,2-Benzenedicarboxylic acid, dicyclohexyl ester | SCHEMBL29302 | Dicyclohexylphthalate | W-104111 | CAS-84-61-7 | UNII-CGD15M7H2N | CHEBI:34693 | 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester | DICYCLOHEXYL PHTHALATE [HSDB] | NSC6101 | NSC-6101 |

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 488180154
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180154
• Sorrisos canónicos: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
• IUPAC Name: dicyclohexyl benzene-1,2-dicarboxylate
• InChIKey: VOWAEIGWURALJQ-UHFFFAOYSA-N
• INCHI: 1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
• SMILES isoméricas: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
• WGK Alemanha: 1
• RTECS: TI0889000
• Número UN: 3082
• Grupo de embalagem: III
• Peso molecular: 330.42
• Beilstein: 1889288
• Reaxy-Rn: 1889288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1889288&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Phthalates

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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Degree of Solubility in water: 0.94 grm/l 25 °C
• Índice de refração: 1.485
• Ponto de inflamação (°F): 356.0 - 374.0 °F
• Ponto de inflamação (°C): 207℃
• Ponto de ebulição (°C): 200-235°C
• Ponto de fusão (°C): 62-65°C
• Peso molecular: 330.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 330.183 Da
• Monoisotopic Mass: 330.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 381.000
• 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