111-71-7
Product Name:
Heptaldehyde
Formula:
C7H14O
Synonyms:
Heptaldehyde;Enanthaldehyde;Enanthaldehyde, Heptaldehyde;1-Heptanal;Aldehyde C7
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Used to make perfumes and pharmaceuticals. |
|---|---|
| Color/Form | Oily colorless liquid |
| Odor | FATTY, PUNGENT ODOR |
| Taste | FATTY TASTE |
| Boiling Point | 307 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -45 °F (NTP, 1992) |
| Flash Point | 95 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 0.8495 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Density | 3.9 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 3 mmHg at 77 °F ; 5 mmHg at 90.9 °F (NTP, 1992) |
| Henry's Law Constant | Henry's Law constant = 2.7X10-4 atm-cu m/mole at 25 °C |
| Autoignition Temperature | Autoflammability: 250 °C at 1013 hPa |
| Viscosity | 0.977 cP at 15 °C; 0.791 cP at 30 °C |
| Heat of Combustion | -1062.4 kcal/mol (liquid) |
| Heat of Vaporization | 33.78 kJ/mol at 25 °C /from experimentally-derived coefficients/ |
| Surface Tension | 25.68 at 30 °C |
| Refractive Index | Index of refraction 1.4113 at 20 C/D |
| Kovats Retention Index | 882 879 874.1 878 878 883 880 883 883 882 884 873 878.1 882 870 879 885 879 880 882 877 880 896 885 881 895 880 875 884 877 879 880 882 876 881 878 872 880 880 883 884 888 889 882 883 889 883 898 904 878 858 883 865 880 883 882 877 897 870 904 874 874 897 880 881 873 896 877 883 877 877 877 883 879.3 877 882.6 883.3 873 877 879 881 877 877 877 879 881 909 880 882 880 882 880.65 879 878.2 876 902 876 883 876 878 878 876 879 878 880 883 880 882 881 883 883 883 878 881 878 878 879 875 876 878 875 878 883 875 877 888 876 877 877 871 883 877 878 885 878.4 855.7 |
| Other Experimental Properties | Surface tension against water at 30 deg : 14.41 |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.19 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 114.104465066 g/mol |
| Monoisotopic Mass | 114.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 50.3 |
| 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
N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Used to make perfumes and pharmaceuticals.