trans-4-Pentylcyclohexanecarboxylic Acid - ≥99%(GC)(T) , CAS No.38289-29-1

CAS: 38289-29-1 Cat. No.: T161917 Fórmula: C₁₂H₂₂O₂ Peso molecular: 198.31 Número EC: 626-251-1 PubChem CID: 98882

GRADE & PURITY ≥99%(GC)(T)

Synonyms

4-n-Pentylcyclohexane carboxylic acid | trans-4-Pentylcyclohexanecarboxylic acid, 97% | BDBM35384 | MFCD00466238 | Trans-4-n-pentylcyclohexane carboxylic acid | ZLI 1153 | Cyclohexanecarboxylic acid, 4-pentyl- | D82007 | SCHEMBL503717 | trans-4-pentylcycl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-n-Pentylcyclohexane carboxylic acid | trans-4-Pentylcyclohexanecarboxylic acid, 97% | BDBM35384 | MFCD00466238 | Trans-4-n-pentylcyclohexane carboxylic acid | ZLI 1153 | Cyclohexanecarboxylic acid, 4-pentyl- | D82007 | SCHEMBL503717 | trans-4-pentylcycl

Especificaciones y pureza

≥99%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 488187154
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187154
• Sonrisas canónicas: CCCCCC1CCC(CC1)C(=O)O
• IUPAC Name: 4-pentylcyclohexane-1-carboxylic acid
• InChIKey: RVLAXPQGTRTHEV-UHFFFAOYSA-N
• INCHI: 1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
• Isómeros SMILES: CCCCCC1CCC(CC1)C(=O)O
• WGK Alemania: 3
• PubChem CID: 98882
• Peso molecular: 198.31
• Reaxy-Rn: 2208451

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 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 - Organooxygen compound - Carbonyl group - 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

Objetivos asociados (humanos)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol almost transparency
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de fusión (°C): 51-57°C
• Peso molecular: 198.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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, and how is it determined?

This product is supplied at ≥99% 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 38289-29-1, the molecular formula is C12H22O2, and the molecular weight is 198.31 g/mol. InChIKey RVLAXPQGTRTHEV-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.