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Basic Information
CAS No.: 589-79-7
Name: Ethyl 6-fluorohexanoate
Article Data: 4
Molecular Structure:
Molecular Structure of 589-79-7 (Ethyl 6-fluorohexanoate)
Formula: C8H15 F O2
Molecular Weight: 162.204
Synonyms: Ethyl 6-fluorohexanoate;Ethyl-ω-fluorohexanoate
Density: 0.956g/cm3
Boiling Point: 180.9°Cat760mmHg
Flash Point: 61.9°C
Safety: Poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−. See also FLUORIDES.
PSA: 26.30000
LogP: 2.07940
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    Ethyl 6-fluorohexanoate

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  • Hexanoic acid,6-fluoro-, ethyl ester

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    Hexanoic acid,6-fluoro-, ethyl ester

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Chemistry

IUPAC Name: ethyl 6-fluorohexanoate 
Empirical Formula: C8H15FO2
Molecular Weight: 162.2019g/mol
Index of Refraction: 1.399
Molar Refractivity: 41.05 cm3
Molar Volume: 169.5 cm3
Polarizability: 16.27×10-24cm3
Surface Tension: 26.5 dyne/cm
Density: 0.956 g/cm3
Flash Point: 61.9 °C
Enthalpy of Vaporization: 41.72 kJ/mol
Boiling Point: 180.9 °C at 760 mmHg
Vapour Pressure: 0.874 mmHg at 25°C
Canonical SMILES: CCOC(=O)CCCCCF
InChI: InChI=1S/C8H15FO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChIKey: ARWCSVYFRYFFPQ-UHFFFAOYSA-N
Structure of Ethyl 6-fluorohexanoate (CAS NO.589-79-7):

Toxicity Data With Reference

1.    

scu-mus LD50:4 mg/kg

     JCSOA9    Journal of the Chemical Society .(London, England.: )1949,1471.
2.    

ivn-rbt LD50:200 µg/kg

     JCSOA9    Journal of the Chemical Society .(London, England.: )1949,1471.

Safety Profile

Poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−. See also FLUORIDES.

Specification

  Ethyl 6-fluorohexanoate , its cas register number is 589-79-7. It also can be called 2'-Fluoroethyl 6-fluorohexanoate ; 4-02-00-00932 (Beilstein Handbook Reference) ; BRN 1756049 ; Ethyl 5-fluoropentanecarboxylate ; Ethyl omega-fluorohexanoate .