2-Methylcyclohexyl Acetate - ≥97%(GC) , CAS No.5726-19-2

CAS: 5726-19-2 Cat. No.: M158134 Fórmula: C₉H₁₆O₂ Peso molecular: 156.23 Número CE: 227-231-1

GRAU & PUREZA ≥97%(GC)

Synonyms

EC 227-231-1 | EINECS 227-231-1 | 2-Methyl cyclo hexyl acetate | AMY307 | UNII-DT3AUW483O | SCHEMBL1928712 | DT3AUW483O | MFCD00021390 | 2-METHYLCYCLOHEXYLACETATE | (2-methylcyclohexyl) acetate | ACETICACID2-METHYLCYCLOHEXYLESTER | NSC 109144 | Acetic aci

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

EC 227-231-1 | EINECS 227-231-1 | 2-Methyl cyclo hexyl acetate | AMY307 | UNII-DT3AUW483O | SCHEMBL1928712 | DT3AUW483O | MFCD00021390 | 2-METHYLCYCLOHEXYLACETATE | (2-methylcyclohexyl) acetate | ACETICACID2-METHYLCYCLOHEXYLESTER | NSC 109144 | Acetic aci

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Sorrisos canónicos

CC1CCCCC1OC(=O)C

IUPAC Name

(2-methylcyclohexyl) acetate

InChIKey

AKIIJALHGMKJEJ-UHFFFAOYSA-N

INCHI

1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3

SMILES isoméricas

CC1CCCCC1OC(=O)C

Peso molecular

156.23

Reaxy-Rn

2042790

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carboxylic acid 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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: 1.44
• Ponto de inflamação (°C): 66 °C
• Ponto de ebulição (°C): 182°C(lit.)
• Peso molecular: 156.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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 ≥97% 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 5726-19-2, the molecular formula is C9H16O2, and the molecular weight is 156.23 g/mol. InChIKey AKIIJALHGMKJEJ-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.