4-Ethylcyclohexanecarboxylic acid - ≥98%(GC), mixture of cis and trans , CAS No.91328-77-7

CAS: 91328-77-7 Cat. No.: E134615 Summenformel: C₉H₁₆O₂ Molekulargewicht: 156.23 EG-Nummer: 805-829-9

GRADE & PURITY ≥98%(GC), mixture of cis and trans

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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC), mixture of cis and trans

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488191854
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191854
• Kanonisches Lächeln: 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)
• Isomere SMILES: CCC1CCC(CC1)C(=O)O
• Molekulargewicht: 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
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.46
• Flammpunkt (°C): 120 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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 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 91328-77-7, 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.