124-13-0
Product Name:
Octanal
Formula:
C8H16O
Synonyms:
Aldehyde C8;Caprylaldehyde, Octaldehyde;Caprylic aldehyde;Octanal;Octyl aldehyde
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-octylaldehyde is a colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125 °F. Used in making perfumes and flavorings. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Strong, fruity odor |
| Taste | Taste characteristics at 25 ppm: aldehyde, green with a peely citrus orange note |
| Boiling Point | 171 °C |
| Melting Point | -23 °C |
| Flash Point | 125 °F (USCG, 1999) |
| Solubility | In water, 5.6X10+2 mg/L at 25 °C |
| Density | 0.82 to 0.83 (USCG, 1999) |
| Vapor Pressure | 1.18 [mmHg] |
| LogP | log Kow = 3.5 at pH 6.9 (by HPLC) |
| Henry's Law Constant | Henry's Law constant = 5.14X10-4 atm-cu m/mole at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides |
| Refractive Index | MAX ABSORPTION (HEXANE): 295 NM (LOG E= 1.11); INDEX OF REFRACTION: 1.4217 @ 20 °C/D |
| Kovats Retention Index | 982 981 980 984 980 982 982 988 988 984 1036 1003 978 980 985 988 981 977 978 978 981 981 981 978 981 988.1 978 987 990 976 979 987 979.9 980 980 980 981 981 981 983 983 984 985 985 985 985 986 987 991 980 980 981 989 979 973 973 982 993 983 984 978 980 981 983 992 981.8 983 979 983 984.6 991.9 977 978 980 983 984 984 985 994 995 985 986 991 992 987 988 984 985 983 973 980 974 1002 982 983 984 980 994 973 982 973 977 977 979 979 980 978 983 984 985 975 985 999 999 977 978 981 985 988.1 978 985.3 981 981 984 978 976 979 987 985 1004 980 981 980 975 989 981 982.16 984.1 981 984.9 982 981 982 986 975 979 983 979 981 977 977 983 981 975 981 980 981 982 983 986 990 981 977 985 979 979 983 984 981 982 985 979 981 985 979 987 980 980 980 981 979 981 985 |
| Other Experimental Properties | Apparent partition coefficients (K*, in M/atm) of 15 carbonyl compounds including octylaldehyde between water and air were determined as a function of temperature, salinity, and pH. Values for K* decreased with increasing carbon number of alkanals; eg, at 25 °C apparent partition coefficients between air and seawater range from 3710 for formaldehyde and 13.1 for acetaldehyde to 0.181 for decanal. log K* was found-to be highly temperature dependent, varying linearly with l/T for all compounds studied. The salinity effect on K* increases with increasing molecular weight; K* (seawater)/K*(freshwater) ratios range from close to 1 for formaldehyde and acetaldehyde to less than 0.3 for nonanal and decanal. The effect of pH in the range of 4-8 on K* as found to be negligible. |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H411: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. 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 | 128.21 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 128.120115130 g/mol |
| Monoisotopic Mass | 128.120115130 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 59.6 |
| 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-octylaldehyde is a colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125 °F. Used in making perfumes and flavorings.