Methyl cyclohexylacetate - ≥95% , CAS No.14352-61-5

CAS: 14352-61-5 Cat. No.: M491852 分子式: C₆H₁₁CH₂CO₂CH₃ 分子量: 156.22 EC番号: 700-789-8

GRADE & PURITY ≥95%

Synonyms

methyl 2-cyclohexylacetate|14352-61-5|Methyl cyclohexylacetate|Methylcyclohexylacetate|Methyl cyclohexaneacetate|Cyclohexaneacetic acid, methyl ester|MFCD00001516|Cyclohexyl acetic acid methyl ester|EC 700-789-8|SCHEMBL106265|Methyl cyclohexylacetate, 99%

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

methyl 2-cyclohexylacetate | 14352-61-5 | Methyl cyclohexylacetate | Methylcyclohexylacetate | Methyl cyclohexaneacetate | Cyclohexaneacetic acid, methyl ester | MFCD00001516 | Cyclohexyl acetic acid methyl ester | EC 700-789-8 | SCHEMBL106265 | Methyl cyclohexylacetate, 99%

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

504757186

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757186

カノニカル・スマイル

COC(=O)CC1CCCCC1

IUPAC Name

methyl 2-cyclohexylacetate

InChIKey

IMXBRVLCKXGWSS-UHFFFAOYSA-N

INCHI

1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3

異性体SMILES

COC(=O)CC1CCCCC1

WGKドイツ

3

分子量

156.22

Reaxy-Rn

1935083

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1935083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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: water: soluble0.3 g/L at 30 °C
• 屈折率: 1.446
• 引火点（°F）: 177.8 °F
• 引火点（°C）: 81 °C
• 沸点（°C）: 201 °C
• 分子量: 156.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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?

This product is supplied at ≥95% 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 14352-61-5, the molecular formula is C9H16O2, and the molecular weight is 156.22 g/mol. InChIKey IMXBRVLCKXGWSS-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.