3-hydroxy-2-methylpropanoic acid - ≥97% , CAS No.2068-83-9

CAS: 2068-83-9 Cat. No.: R343446 Formule: C₄H₈O₃ Poids moléculaire: 104.11 Numéro CE: 819-819-7 PubChem CID: 87

GRADE & PURITY ≥97%

Synonyms

3-Hydroxy-2-methyl propanoic acid | A936209 | rac 3-Hydroxyisobutyric Acid Sodium Salt | K75C8JDF5W | SCHEMBL61073 | AB88450 | (+/-)-3-HYDROXY-2-METHYLPROPANOIC ACID | DTXSID20862824 | 3-Hydroxyisobutyric acid | DBXBTMSZEOQQDU-UHFFFAOYSA-N | propanoic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

rac 3-Hydroxyisobutyric Acid is a 3-Hydrosyisobutyrate dehydrogenase metabolite.

Specifications

Synonymes

3-Hydroxy-2-methyl propanoic acid | A936209 | rac 3-Hydroxyisobutyric Acid Sodium Salt | K75C8JDF5W | SCHEMBL61073 | AB88450 | (+/-)-3-HYDROXY-2-METHYLPROPANOIC ACID | DTXSID20862824 | 3-Hydroxyisobutyric acid | DBXBTMSZEOQQDU-UHFFFAOYSA-N | propanoic aci

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504750347

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750347

Sourires canoniques

CC(CO)C(=O)O

IUPAC Name

3-hydroxy-2-methylpropanoic acid

InChIKey

DBXBTMSZEOQQDU-UHFFFAOYSA-N

INCHI

1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)

Isomères SMILES

CC(CO)C(=O)O

PubChem CID

87

Poids moléculaire

104.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: 3-hydroxy monocarboxylic acid

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

• Poids moléculaire: 104.100 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2068-83-9, the molecular formula is C4H8O3, and the molecular weight is 104.11 g/mol. InChIKey DBXBTMSZEOQQDU-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.