Methyl 4-hydroxycyclohexanecarboxylate - ≥95% , CAS No.17449-76-2

CAS: 17449-76-2 Cat. No.: M182106 Fórmula: C₈H₁₄O₃ Peso molecular: 158.2 Número CE: 241-464-6

GRAU & PUREZA ≥95%

Synonyms

DTXSID70169830 | M1991 | trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester | cis-methyl 4-hydroxycyclohexanecarboxylate | SB11017 | AMY34207 | trans-Methyl 4-hydroxycyclohexanecarboxylate | cis-methyl4-hydroxycyclohexanecarboxylate | AM9680 | MFCD00

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

DTXSID70169830 | M1991 | trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester | cis-methyl 4-hydroxycyclohexanecarboxylate | SB11017 | AMY34207 | trans-Methyl 4-hydroxycyclohexanecarboxylate | cis-methyl4-hydroxycyclohexanecarboxylate | AM9680 | MFCD00

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

COC(=O)C1CCC(CC1)O

IUPAC Name

methyl 4-hydroxycyclohexane-1-carboxylate

InChIKey

HYDYVXROZHFTGB-UHFFFAOYSA-N

INCHI

1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3

SMILES isoméricas

COC(=O)C1CCC(CC1)O

Peso molecular

158.2

Reaxy-Rn

2690317

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Methyl esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Methyl ester - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

• Peso molecular: 158.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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?

This product is supplied at ≥95% 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 17449-76-2, the molecular formula is C8H14O3, and the molecular weight is 158.2 g/mol. InChIKey HYDYVXROZHFTGB-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.