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

CAS: 84-61-7 Cat. No.: D108627 분자식: C₂₀H₂₆O₄ 분자량: 330.42 Beilstein Registry Number: 1889288 EC 번호: 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

개요

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

동의어

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 |

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488180154

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180154

정식 스마일

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

이성체 SMILES

C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3

WGK 독일

1

RTECS

TI0889000

UN 번호

3082

포장 그룹

III

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Degree of Solubility in water: 0.94 grm/l 25 °C
• 굴절률: 1.485
• 발화점(°F): 356.0 - 374.0 °F
• 발화점(°C): 207℃
• 끓는점(°C): 200-235°C
• 녹는점(°C): 62-65°C
• 분자량: 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