Adipic acid - Ultra pure, ≥99.5%(HPLC) , CAS No.124-04-9

CAS: 124-04-9 Cat. No.: A108266 Formule: C₆H₁₀O₄ Poids moléculaire: 146.14 Beilstein Registry Number: 1209788 Numéro CE: 204-673-3

QUALITÉ & PURETÉ Ultra pure, ≥99.5%(HPLC)

Synonyms

1,4-Butanedicarboxylic acid | Hexanedioic acid

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Adipic acid is a straight-chain aliphatic dicarboxylic acid, commonly used in the manufacturing of nylon-6,6 and plasticizers. Conventionally it was manufactured from petrochemicals but in recent days it can be synthesized from renewable substrates by means of biological methods.
Application
Adipic acid can be used as a starting material in the preparation of:
Aliphatic polyesters by reacting with ethyleneglycol/1,3 propyleneglycol/1,4-butanediol using inorganic acid as a catalyst.
Cyclopentanone using a weak base such as Na2CO3.
Linear polybutylene adipate (PBA) having carboxylic acids at the terminals by reacting with 1,4-butanediol.

Spécifications

Synonymes

1,4-Butanedicarboxylic acid | Hexanedioic acid

Spécifications et pureté

Ultra pure, ≥99.5%(HPLC)

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Ultra pure

Pureté

≥99.5%(HPLC)

Noms et identifiants

Pubchem Sid

508813357

Sourires canoniques

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)

Isomères SMILES

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

WGK Allemagne

1

RTECS

AU8400000

Numéro ONU

3077

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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.
• Sensibilité: Moisture sensitive.
• Point d'éclair (°F): 384.8 °F
• Point d'éclair (°C): 196℃
• Point d'ébullition (°C): 265°C
• Point de fusion (°C): 153°C
• Poids moléculaire: 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