CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Sigma-Aldrich MSDS] |
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Boiling Point | 269.00 to 271.00 °C. @ 760.00 mm Hg |
Solubility | insoluble in water; soluble in alcohol |
Density | 0.893-0.913 (20°) |
Refractive Index | 1.44-1.46 |
Kovats Retention Index | 1389.2 1358 |
Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 170.25 g/mol |
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XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 8 |
Exact Mass | 170.130679813 g/mol |
Monoisotopic Mass | 170.130679813 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 130 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dec-9-enoic acid is a decenoic acid having the double bond at position 9. It has a role as a metabolite. It is a conjugate acid of a dec-9-enoate.