Adipic acid - Standard for GC, ≥99.5%(GC) , CAS No.124-04-9

CAS: 124-04-9 Cat. No.: A108264 Summenformel: C₆H₁₀O₄ Molekulargewicht: 146.14 Beilstein Registry Number: 1209788 EG-Nummer: 204-673-3

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

Adi-pure | EINECS 204-673-3 | HOOC-(CH2)4-COOH | adipate | Adipic acid, Vetec(TM) reagent grade, >=99% | ADIPIC-1,6-13C2 ACID | NCGC00254389-01 | Adilac-tetten | ADIPIC ACID (MART.) | NCGC00091345-04 | Tox21_300344 | MFCD00004420 | 1,4-Butanedicarboxylic

Storage

Room temperature

Shipped In

Normal

Übersicht

A dicarboxylic acid that is a useful synthetic reagent
Adipic acid is an organic acid used for resolving the problem of pH-dependent release of weakly basic drugs.

Specifications

Synonyme

Adi-pure | EINECS 204-673-3 | HOOC-(CH2)4-COOH | adipate | Adipic acid, Vetec(TM) reagent grade, >=99% | ADIPIC-1,6-13C2 ACID | NCGC00254389-01 | Adilac-tetten | ADIPIC ACID (MART.) | NCGC00091345-04 | Tox21_300344 | MFCD00004420 | 1,4-Butanedicarboxylic

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Biochemische und physiologische Mechanismen

Presence of adipic acid in the urine of ketotic patients is utilized as a marker for diagnosing the degree of ketosis.

Storage

Room temperature

Verschickt in

Normal

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

508813356

Kanonisches Lächeln

C(CCC(=O)O)CC(=O)O

IUPAC Name

hexanedioic acid

InChIKey

WNLRTRBMVRJNCN-UHFFFAOYSA-N

INCHI

1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Isomere SMILES

C(CCC(=O)O)CC(=O)O

WGK Deutschland

1

RTECS

AU8400000

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

146.14

Beilstein

1209788

Reaxy-Rn

1209788

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Dicarboxylic acids

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Adipic acid is freely soluble in ethanol and methanol. It also dissolves in boiling water, and acetone. Additionally, the product is slightly soluble in water and cyclohexane and is practically insoluble in benzene and petroleum ether.
• Empfindlichkeit: Moisture sensitive.
• Flammpunkt (°F): 384.8 °F
• Flammpunkt (°C): 196℃
• Siedepunkt (°C): 265°C
• Schmelzpunkt (°C): 153°C
• Molekulargewicht: 146.140 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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