trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid - ≥98% , CAS No.66185-74-8

CAS: 66185-74-8 Cat. No.: T162718 Fórmula: C₈H₁₄O₃ Peso molecular: 158.2 Número EC: 680-155-4

GRADE & PURITY ≥98%

Synonyms

AS-65828 | EN300-173005 | 4-Carboxy-1-cyclohexanemethanol | BB 0237641 | 4-Carboxy-1-cyclohexanemethanol (cis- and trans- mixture) | MFCD10566907 | 4-(Hydroxymethyl)cyclohexanecarboxic acid | 4-(Hydroxymethyl)cyclohexanecarboxylicacid | H1015 | SCHEMBL662

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-65828 | EN300-173005 | 4-Carboxy-1-cyclohexanemethanol | BB 0237641 | 4-Carboxy-1-cyclohexanemethanol (cis- and trans- mixture) | MFCD10566907 | 4-(Hydroxymethyl)cyclohexanecarboxic acid | 4-(Hydroxymethyl)cyclohexanecarboxylicacid | H1015 | SCHEMBL662

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC(CCC1CO)C(=O)O
• IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid
• InChIKey: VQMIUUBKKPIDBN-UHFFFAOYSA-N
• INCHI: 1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)
• Isómeros SMILES: C1CC(CCC1CO)C(=O)O
• Peso molecular: 158.2
• Reaxy-Rn: 14569798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14569798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 141 °C
• Peso molecular: 158.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 57.500 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

Preguntas frecuentes

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 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 66185-74-8, the molecular formula is C8H14O3, and the molecular weight is 158.2 g/mol. InChIKey VQMIUUBKKPIDBN-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.