CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Liquid, Other Solid; Other Solid; Pellets or Large Crystals |
|---|---|
| Color/Form | Waxy solid |
| Boiling Point | 306 °C at 60 mm Hg |
| Melting Point | 79.95 °C |
| Solubility | 0.102 g are sol in 100 g of 90% ethanol at 17 °C;0.218 g are sol in 100 ml of 91.5% ethanol at 25 °C; 0.116 g are sol in 100 ml of 86.2% ethanol at 25 °C; 0.011 g are sol in 100 ml of 63.07% ethanol at 25 °C; 0.1922 g are sol in 100 g of ether at 16 °C |
| Density | 0.8221 at 100 °C/4 °C |
| Vapor Pressure | 0.00000007 [mmHg] |
| LogP | 9.910 |
| Refractive Index | Index of refraction: 1.4270 at 100 °C/D |
| Collision Cross Section | 193.05 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids] |
| Kovats Retention Index | 2567 2564 2569 2564 |
| Other Experimental Properties | Neutralization value: 164.73 |
| Chemical Classes | Lipids -> Unambiguous Lipids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| 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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 340.6 g/mol |
|---|---|
| XLogP3 | 9.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 20 |
| Exact Mass | 340.334130642 g/mol |
| Monoisotopic Mass | 340.334130642 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 250 |
| 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
Docosanoic acid is a straight-chain, C22, long-chain saturated fatty acid. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a behenate.