Methyl cyclobutanecarboxylate - ≥98% , CAS No.765-85-5

CAS: 765-85-5 Cat. No.: M590124 Fórmula: C₆H₁₀O₂ Peso molecular: 114.14 Número CE: 661-390-1

GRAU & PUREZA ≥98%

Synonyms

FT-0624152 | A865454 | cyclobutane carboxylic acid methyl ester | BB 0257985 | DTXSID60227312 | Cyclobutanecarboxylic acid methyl ester | CBTGNLZUIZHUHY-UHFFFAOYSA-N | AS-54705 | TD1247 | EN300-127502 | M2884 | MFCD00095142 | AKOS005175027 | AM20070621 |

Storage

Room temperature,Desiccated

Shipped In

Normal

Especificações

Sinónimos

FT-0624152 | A865454 | cyclobutane carboxylic acid methyl ester | BB 0257985 | DTXSID60227312 | Cyclobutanecarboxylic acid methyl ester | CBTGNLZUIZHUHY-UHFFFAOYSA-N | AS-54705 | TD1247 | EN300-127502 | M2884 | MFCD00095142 | AKOS005175027 | AM20070621 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

COC(=O)C1CCC1

IUPAC Name

methyl cyclobutanecarboxylate

InChIKey

CBTGNLZUIZHUHY-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3

SMILES isoméricas

COC(=O)C1CCC1

Peso molecular

114.14

Reaxy-Rn

2039750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039750&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.43
• Ponto de inflamação (°C): 30 °C
• Ponto de ebulição (°C): 135 °C
• Peso molecular: 114.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.700
• 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?

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 in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 765-85-5, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey CBTGNLZUIZHUHY-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.