Glutaric acid - ≥99% , CAS No.110-94-1

CAS: 110-94-1 Cat. No.: G103516 Formule: C₅H₈O₄ Poids moléculaire: 132.11 Beilstein Registry Number: 1209725 Numéro CE: 203-817-2

GRADE & PURITY ≥99%

Synonyms

MFCD00004410 | NCGC00256456-01 | 1czc | CAS-110-94-1 | FT-0605446 | G0069 | Q409622 | 1,3-PENTANEDIOIC ACID (RIFM) | 1,5-Pentanedioate | 1,5-Pentanedioic acid | 1,3-Propanedicarboxylic acid | BRN 1209725 | Glutaric Acid (ca. 50% in Water, ca. 4.3mol/L) |

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Glutaric acid (Pentanedioic Acid) is a linear dicarboxylic acid. It has been prepared by oxidizing cyclopentane, cyclopentanol and cyclopentanone. Glutaric acid is a pentanedioic acid. On exposure to X-rays, glutaric acid crystals generate two stable free radicals. These free radicals have been investigated by electron nuclear double resonance (ENDOR) technique. Presence of glutaric acid in urine and plasma is an indicator of type I glutaric aciduria (GA-I). Glutaric acid is formed as an intermediate during the catabolism of lysine in mammals. Electron spin resonance spectra of radical (CO2H)CH2CH2CH(CO2H formed in glutaric acid crystal after γ-irradiation is reported to remains trapped in it. Polymorphism of Glycine-glutaric acid co-crystals has been studied by single crystal X-ray diffraction and Raman spectroscopy.
An intermediate formed during the catabolism of lysine.

Specifications

Synonymes

MFCD00004410 | NCGC00256456-01 | 1czc | CAS-110-94-1 | FT-0605446 | G0069 | Q409622 | 1,3-PENTANEDIOIC ACID (RIFM) | 1,5-Pentanedioate | 1,5-Pentanedioic acid | 1,3-Propanedicarboxylic acid | BRN 1209725 | Glutaric Acid (ca. 50% in Water, ca. 4.3mol/L) |

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488179544

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179544

Sourires canoniques

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

IUPAC Name

pentanedioic acid

InChIKey

JFCQEDHGNNZCLN-UHFFFAOYSA-N

INCHI

1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)

Isomères SMILES

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

WGK Allemagne

1

RTECS

MA3740000

Poids moléculaire

132.11

Beilstein

1209725

Reaxy-Rn

1209725

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209725&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Fatty acids and conjugates Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Cibles associées (humaines)

SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

Discover Target: SLC22A8

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

SLC22A7 Tbio Solute carrier family 22 member 7 (39 Activities)

Discover Target: SLC22A7

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

Cibles associées (non humaines)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, alcohol, benzene and chloroform. Slightly soluble in petroleum ether.
• Point d'ébullition (°C): 200°C
• Point de fusion (°C): 92-99°C
• Poids moléculaire: 132.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 132.042 Da
• Monoisotopic Mass: 132.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 104.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 110-94-1, the molecular formula is C5H8O4, and the molecular weight is 132.11 g/mol. InChIKey JFCQEDHGNNZCLN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.