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

CAS: 14002-80-3 Cat. No.: M138208 Formule: HOCH₂C(CH₃)₂CO₂CH₃ Poids moléculaire: 132.16 Beilstein Registry Number: 3331 Numéro 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504755744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755744
• Sourires canoniques: 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
• Isomères SMILES: CC(C)(CO)C(=O)OC
• WGK Allemagne: 3
• Poids moléculaire: 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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Indice de réfraction: 1.43
• Point d'éclair (°F): 168.8 °F
• Point d'éclair (°C): 76 °C
• Point d'ébullition (°C): 178 °C
• Point de fusion (°C): -16 °C
• Poids moléculaire: 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

Foire aux questions

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.