CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 35 °C |
| Collision Cross Section | 163.36 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1795 1782 1815 1793 1793 1795 1795 1796 1761 1796 1794 1794 1820 1807 1812 1812 1811 1795 1796 1784 1785 1798 1814 1826 1782 1787 1800 1789 1792 1794 1794 1794 1794 1794 1795 1794 1794 1794 1794 1797 1796 1825 |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 240.42 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 14 |
| Exact Mass | 240.245315640 g/mol |
| Monoisotopic Mass | 240.245315640 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 143 |
| 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
Hexadecanal is a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite.