methyl cis-3-(hydroxymethyl)cyclohexanecarboxylate - ≥97% , CAS No.502650-56-8

CAS: 502650-56-8 Cat. No.: M634002 Summenformel: C₉H₁₆O₃ Molekulargewicht: 172.22 PubChem CID: 57350257

GRADE & PURITY ≥97%

Synonyms

502650-56-8 | methyl cis-3-hydroxymethylcyclohexanecarboxylate | methyl (1S,3R)-3-(hydroxymethyl)cyclohexane-1-carboxylate | SCHEMBL351586 | BS-42791 | D79003 | Methyl cis-3-(hydroxymethyl)cyclohexanecarboxylate | cis-methyl-3-hydroxymethylcyclohexane-1-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

502650-56-8 | methyl cis-3-hydroxymethylcyclohexanecarboxylate | methyl (1S,3R)-3-(hydroxymethyl)cyclohexane-1-carboxylate | SCHEMBL351586 | BS-42791 | D79003 | Methyl cis-3-(hydroxymethyl)cyclohexanecarboxylate | cis-methyl-3-hydroxymethylcyclohexane-1-c

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: COC(=O)C1CCCC(C1)CO
• IUPAC Name: methyl (1S,3R)-3-(hydroxymethyl)cyclohexane-1-carboxylate
• InChIKey: JNCPTEDQFZOIHX-SFYZADRCSA-N
• INCHI: 1S/C9H16O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
• Isomere SMILES: COC(=O)[C@H]1CCC[C@H](C1)CO
• PubChem CID: 57350257
• Molekulargewicht: 172.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Primary alcohols 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 - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Beschreibung: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% 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 502650-56-8, the molecular formula is C9H16O3, and the molecular weight is 172.22 g/mol. InChIKey JNCPTEDQFZOIHX-SFYZADRCSA-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.