trans-4-Ethylcyclohexanecarboxylic Acid - ≥98%(GC) , CAS No.6833-47-2

CAS: 6833-47-2 Cat. No.: T162130 Formule: C₉H₁₆O₂ Poids moléculaire: 156.23 Numéro CE: 676-757-1

GRADE & PURITY ≥98%(GC)

Synonyms

SCHEMBL879831 | 4-ethylcyclohexane-1-carboxylic acid | F16511 | SY113622 | DTXSID80987865 | (1r,4r)-4-ethylcyclohexanecarboxylic acid;trans-4-Ethylcyclohexanecarboxylic acid | 12N-105 | 4-ethyl Hexahydrobenzoic Acid | UNROFSAOTBVBBT-ZKCHVHJHSA-N | 4-ethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL879831 | 4-ethylcyclohexane-1-carboxylic acid | F16511 | SY113622 | DTXSID80987865 | (1r,4r)-4-ethylcyclohexanecarboxylic acid;trans-4-Ethylcyclohexanecarboxylic acid | 12N-105 | 4-ethyl Hexahydrobenzoic Acid | UNROFSAOTBVBBT-ZKCHVHJHSA-N | 4-ethyl

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504760520
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760520
• Sourires canoniques: CCC1CCC(CC1)C(=O)O
• IUPAC Name: 4-ethylcyclohexane-1-carboxylic acid
• InChIKey: UNROFSAOTBVBBT-UHFFFAOYSA-N
• INCHI: 1S/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
• Isomères SMILES: CCC1CCC(CC1)C(=O)O
• Poids moléculaire: 156.23
• Reaxy-Rn: 3236888
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236888&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 50-54℃
• Poids moléculaire: 156.220 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 6833-47-2, the molecular formula is C9H16O2, and the molecular weight is 156.23 g/mol. InChIKey UNROFSAOTBVBBT-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.