Ethyl 6,8-dichlorooctanoate - ≥95% , CAS No.1070-64-0

CAS: 1070-64-0 Cat. No.: E165718 Summenformel: C₁₀H₁₈Cl₂O₂ Molekulargewicht: 241.15 EG-Nummer: 435-080-1

GRADE & PURITY ≥95%

Synonyms

AKOS015848527 | ethyl-6,8-dichlorooctanoate | Ethyl6,8-dichlorooctanoate | O11809 | 6,8-Dichloro ethyl caprylate | SCHEMBL5480353 | FT-0602570 | J-001695 | Ethyl 6,8-dichlorooctanoate, 95% | DS-1036 | 4-02-00-00998 (Beilstein Handbook Reference) | OCTANOI

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

6,8-Dichlorooctanoic Acid Ethyl Ester is an industrial toxin as well as an intermediate product of lipoic acid synthesis.

Specifications

Synonyme

AKOS015848527 | ethyl-6,8-dichlorooctanoate | Ethyl6,8-dichlorooctanoate | O11809 | 6,8-Dichloro ethyl caprylate | SCHEMBL5480353 | FT-0602570 | J-001695 | Ethyl 6,8-dichlorooctanoate, 95% | DS-1036 | 4-02-00-00998 (Beilstein Handbook Reference) | OCTANOI

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504752517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752517
• Kanonisches Lächeln: CCOC(=O)CCCCC(CCCl)Cl
• IUPAC Name: ethyl 6,8-dichlorooctanoate
• InChIKey: RFYDWSNYTVVKBR-UHFFFAOYSA-N
• INCHI: 1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
• Isomere SMILES: CCOC(=O)CCCCC(CCCl)Cl
• WGK Deutschland: 2
• Molekulargewicht: 241.15
• Reaxy-Rn: 1771820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1771820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in ethyl acetate, chloroform
• Brechungsindex: 1.462
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Molekulargewicht: 241.150 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 240.068 Da
• Monoisotopic Mass: 240.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1070-64-0, the molecular formula is C10H18Cl2O2, and the molecular weight is 241.15 g/mol. InChIKey RFYDWSNYTVVKBR-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.