2,2-Dimethyl-3-hydroxypropionic Acid Methyl Ester - ≥98%(GC) , CAS No.14002-80-3

CAS: 14002-80-3 Cat. No.: M138208 Fórmula: HOCH₂C(CH₃)₂CO₂CH₃ Peso molecular: 132.16 Beilstein Registry Number: 3331 Número CE: 237-805-3

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00009707 | AI3-28360 | GS-3700 | J-660056 | methyl hydroxylpivalate | 2,2-Dimethyl-3-hydroxypropionic Acid Methyl Ester | methyl 2,2-dimethyl-3-hydroxypropanoate | methyl 2,2-dimethyl-3--hydroxy-propanoate | NSC118167 | DTXSID30161214 | H0906 | Methyl

Storage

Room temperature

Shipped In

Normal

Visão geral

Kinetics of decomposition of methyl 2,2-dimethyl-3-hydroxypropionate to methyl isobutyrate and formaldehyde in a static system has been investigated.

Specifications

Sinónimos

MFCD00009707 | AI3-28360 | GS-3700 | J-660056 | methyl hydroxylpivalate | 2,2-Dimethyl-3-hydroxypropionic Acid Methyl Ester | methyl 2,2-dimethyl-3-hydroxypropanoate | methyl 2,2-dimethyl-3--hydroxy-propanoate | NSC118167 | DTXSID30161214 | H0906 | Methyl

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504755744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755744
• Sorrisos canónicos: CC(C)(CO)C(=O)OC
• IUPAC Name: methyl 3-hydroxy-2,2-dimethylpropanoate
• InChIKey: KJRFTNVYOAGTHK-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3
• SMILES isoméricas: CC(C)(CO)C(=O)OC
• WGK Alemanha: 3
• Peso molecular: 132.16
• Beilstein: 3331
• Reaxy-Rn: 1752686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752686&ln=

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: Methyl esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: 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: Not available

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

Propriedades químicas e físicas

• Solubilidade: Soluble in water
• Índice de refração: 1.43
• Ponto de inflamação (°F): 168.8 °F
• Ponto de inflamação (°C): 76 °C
• Ponto de ebulição (°C): 178 °C
• Ponto de fusão (°C): -16 °C
• Peso molecular: 132.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 14002-80-3, the molecular formula is C6H12O3, and the molecular weight is 132.16 g/mol. InChIKey KJRFTNVYOAGTHK-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.