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

CAS: 124-04-9 Cat. No.: A108264 分子式: C₆H₁₀O₄ 分子量: 146.14 Beilstein Registry Number: 1209788 EC番号: 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

概要

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

同義語

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

仕様と純度

Standard for GC, ≥99.5%(GC)

生化学的・生理学的メカニズム

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

保管条件

Room temperature

入荷

Normal

等級

Standard for GC

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

508813356

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

1

RTECS

AU8400000

UN番号

3077

包装グループ

III

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: 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.
• 感度: Moisture sensitive.
• 引火点（°F）: 384.8 °F
• 引火点（°C）: 196℃
• 沸点（°C）: 265°C
• 融点（°C）: 153°C
• 分子量: 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