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

CAS: 124-04-9 Cat. No.: A108264 Fórmula: C₆H₁₀O₄ Peso molecular: 146.14 Beilstein Registry Number: 1209788 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

508813356

Sonrisas canónicas

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)

Isómeros SMILES

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

WGK Alemania

1

RTECS

AU8400000

Número ONU

3077

Grupo de embalaje

III

Peso molecular

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
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

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Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

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Vero (26788 Activities)

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lef Anthrax lethal factor (7585 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Slc22a20 Solute carrier family 22 member 20 (86 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 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.
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 384.8 °F
• Punto de inflamación (°C): 196℃
• Punto de ebullición (°C): 265°C
• Punto de fusión (°C): 153°C
• Peso molecular: 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