trans-4-Propylcyclohexanecarboxylic Acid - ≥98%(GC) , CAS No.38289-27-9

CAS: 38289-27-9 Cat. No.: T161819 分子式: C₁₀H₁₈O₂ 分子量: 170.25 EC番号: 679-815-4 PubChem CID: 1490324

GRADE & PURITY ≥98%(GC)

Synonyms

P1656 | 4-n-Propyl-cyclohexanecarboxylic acid | FT-0641317 | HMS1365I10 | DTXSID90959210 | MFCD00804713 | SCHEMBL3512672 | D70228 | (Z)-4-n-Propylcyclohexanecarboxylic acid and (E)-4-n-propylcyclohexanecarboxylic acid | F0451-0100 | trans-4-Propylcyclohex

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

P1656 | 4-n-Propyl-cyclohexanecarboxylic acid | FT-0641317 | HMS1365I10 | DTXSID90959210 | MFCD00804713 | SCHEMBL3512672 | D70228 | (Z)-4-n-Propylcyclohexanecarboxylic acid and (E)-4-n-propylcyclohexanecarboxylic acid | F0451-0100 | trans-4-Propylcyclohex

仕様と純度

≥98%(GC)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488191856
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488191856
• カノニカル・スマイル: CCCC1CCC(CC1)C(=O)O
• IUPAC Name: 4-propylcyclohexane-1-carboxylic acid
• InChIKey: QCNUKEGGHOLBES-UHFFFAOYSA-N
• INCHI: 1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
• 異性体SMILES: CCCC1CCC(CC1)C(=O)O
• PubChem CID: 1490324
• 分子量: 170.25
• Reaxy-Rn: 2247420

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 融点（°C）: 97-100°C
• 分子量: 170.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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

よくある質問

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 38289-27-9, the molecular formula is C10H18O2, and the molecular weight is 170.25 g/mol. InChIKey QCNUKEGGHOLBES-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.