ethyl (1R,3S)-3-hydroxycyclohexanecarboxylate - ≥97% , CAS No.1821824-32-1

CAS: 1821824-32-1 Cat. No.: E635715 Formula: C₉H₁₆O₃ Molecular Weight: 172.22

GRADE & PURITY ≥97%

Synonyms

ethyl (1R,3S)-3-hydroxycyclohexanecarboxylate | 1821824-32-1 | (1R,3S)-Ethyl 3-hydroxycyclohexanecarboxylate | SCHEMBL19715698 | MFCD31925499 | Ethyl cis-3-hydroxycyclohexanecarboxylate | AS-79422 | (1R,3S)-Ethyl3-hydroxycyclohexanecarboxylate | P20275 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ethyl (1R,3S)-3-hydroxycyclohexanecarboxylate | 1821824-32-1 | (1R,3S)-Ethyl 3-hydroxycyclohexanecarboxylate | SCHEMBL19715698 | MFCD31925499 | Ethyl cis-3-hydroxycyclohexanecarboxylate | AS-79422 | (1R,3S)-Ethyl3-hydroxycyclohexanecarboxylate | P20275 |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles

CCOC(=O)C1CCCC(C1)O

IUPAC Name

ethyl (1R,3S)-3-hydroxycyclohexane-1-carboxylate

InChIKey

BGAOLPQGOBDXBH-SFYZADRCSA-N

INCHI

1S/C9H16O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@@H](C1)O

Molecular Weight

172.22

Reaxy-Rn

3197147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3197147&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Fatty acid esters Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Fatty acid ester - Cyclohexanol - Fatty acyl - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Frequently Asked Questions

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 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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1821824-32-1, the molecular formula is C9H16O3, and the molecular weight is 172.22 g/mol. InChIKey BGAOLPQGOBDXBH-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.