3-Methylglutaric Acid - ≥98% , CAS No.626-51-7

CAS: 626-51-7 Cat. No.: M158378 Formule: C₆H₁₀O₄ Poids moléculaire: 146.14 Beilstein Registry Number: 1759500 Numéro CE: 210-951-5

GRADE & PURITY ≥98%

Synonyms

.beta.-Methylglutaric acid | s3347 | beta-Methylglutaric acid | beta-methyl-Glutaric acid | UNII-3Q0P190C7B | Pentanedioic acid, 3-methyl- | bmse000575 | 3-Methylglutaric acid, purum, >=98.0% (GC) | EINECS 210-951-5 | FT-0616162 | AKOS005146191 | beta-Met

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

.beta.-Methylglutaric acid | s3347 | beta-Methylglutaric acid | beta-methyl-Glutaric acid | UNII-3Q0P190C7B | Pentanedioic acid, 3-methyl- | bmse000575 | 3-Methylglutaric acid, purum, >=98.0% (GC) | EINECS 210-951-5 | FT-0616162 | AKOS005146191 | beta-Met

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181606

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181606

Sourires canoniques

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

IUPAC Name

3-methylpentanedioic acid

InChIKey

XJMMNTGIMDZPMU-UHFFFAOYSA-N

INCHI

1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

146.14

Beilstein

1759500

Reaxy-Rn

1759502

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759502&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates
        • Level5 Branched fatty acids
          • Level6 Methyl-branched fatty acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Branched fatty acids
• Direct Parent: Methyl-branched fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched 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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 87 °C
• Poids moléculaire: 146.140 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• 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: 125.000
• 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 ≥98% 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 626-51-7, the molecular formula is C6H10O4, and the molecular weight is 146.14 g/mol. InChIKey XJMMNTGIMDZPMU-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.