Ethyl 6-Hydroxyhexanoate - ≥95%(GC) , CAS No.5299-60-5

CAS: 5299-60-5 Cat. No.: E156101 Formula: C₈H₁₆O₃ Molecular Weight: 160.21 EC Number: 962-755-0

GRADE & PURITY ≥95%(GC)

Synonyms

SCHEMBL247007 | Ethyl 6-hydroxyhexanoate, 97% | Hexanoic acid, 6-hydroxy-, ethyl ester | E1305 | BCP24426 | MFCD00075601 | 5-ethoxycarbonyl-1-pentanol | AMY38458 | FT-0650638 | SY116371 | DTXSID60326814 | Ethyl 6-hydroxyhexanoate | ethyl 6-hydroxy-hexanoa

Storage

Room temperature

Shipped In

Normal

Overview

Ethyl 6-hydroxyhexanoate is suitable for use in the synthesis of series of model phenol carbonate ester prodrugs having fatty acid-like structures. It may be used in the preparation of alkyl triflates.It may be used in the synthesis of ethyl 6-(trifluoromethylsulfonyloxy)hexanoate.

Specifications

Synonyms

SCHEMBL247007 | Ethyl 6-hydroxyhexanoate, 97% | Hexanoic acid, 6-hydroxy-, ethyl ester | E1305 | BCP24426 | MFCD00075601 | 5-ethoxycarbonyl-1-pentanol | AMY38458 | FT-0650638 | SY116371 | DTXSID60326814 | Ethyl 6-hydroxyhexanoate | ethyl 6-hydroxy-hexanoa

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

Pubchem Sid

488189637

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189637

Canonical Smiles

CCOC(=O)CCCCCO

IUPAC Name

ethyl 6-hydroxyhexanoate

InChIKey

HYXRUZUPCFVWAH-UHFFFAOYSA-N

INCHI

1S/C8H16O3/c1-2-11-8(10)6-4-3-5-7-9/h9H,2-7H2,1H3

Isomeric SMILES

CCOC(=O)CCCCCO

WGK Germany

3

Molecular Weight

160.21

Reaxy-Rn

1756237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756237&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Chemical and Physical Properties

• Refractive Index: 1.437
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 127-128 °C
• Molecular Weight: 160.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 102.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% 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 5299-60-5, the molecular formula is C8H16O3, and the molecular weight is 160.21 g/mol. InChIKey HYXRUZUPCFVWAH-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.