Dicyclohexyl phthalate(DCHP) - analytical standard , CAS No.84-61-7

CAS: 84-61-7 Cat. No.: D108628 Summenformel: C₂₀H₂₆O₄ Molekulargewicht: 330.42 Beilstein Registry Number: 1889288 EG-Nummer: 201-545-9

QUALITÄT & REINHEIT Analytical standard

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

Spezifikationen

Synonyme

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 |

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528775892

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775892

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

1

RTECS

TI0889000

UN-Nummer

3082

Verpackungsgruppe

III

Molekulargewicht

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.485
• Flammpunkt (°F): 356.0 - 374.0 °F
• Flammpunkt (°C): 207℃
• Siedepunkt (°C): 200-235°C
• Schmelzpunkt (°C): 62-65°C
• Molekulargewicht: 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