methyl 2-cyclobutylacetate - ≥97% , CAS No.72306-37-7

CAS: 72306-37-7 Cat. No.: M634425 Fórmula: C₇H₁₂O₂ Peso molecular: 128.17 PubChem CID: 12512039

GRADE & PURITY ≥97%

Synonyms

AKOS006284152 | methyl cyclobutylacetate | DTXSID30500902 | Cyclobutyl-acetic acid methyl ester | EN300-783067 | XCA30637 | MFCD07776816 | SGXHANSUXZAOSN-UHFFFAOYSA-N | Methyl 2-cyclobutylacetate | CYCLOBUTYL-HYDROXYPHENYLACETIC ACID | BS-42788 | SCHEMBL3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS006284152 | methyl cyclobutylacetate | DTXSID30500902 | Cyclobutyl-acetic acid methyl ester | EN300-783067 | XCA30637 | MFCD07776816 | SGXHANSUXZAOSN-UHFFFAOYSA-N | Methyl 2-cyclobutylacetate | CYCLOBUTYL-HYDROXYPHENYLACETIC ACID | BS-42788 | SCHEMBL3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

COC(=O)CC1CCC1

IUPAC Name

methyl 2-cyclobutylacetate

InChIKey

SGXHANSUXZAOSN-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-9-7(8)5-6-3-2-4-6/h6H,2-5H2,1H3

Isómeros SMILES

COC(=O)CC1CCC1

CAS alternativo

72306-37-7

PubChem CID

12512039

Peso molecular

128.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 128.169 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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

Preguntas frecuentes

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 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 72306-37-7, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey SGXHANSUXZAOSN-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.