112-05-0
Product Name:
Nonanoic acid
Formula:
C9H18O2
Synonyms:
Acid C9;Nonanoic acid;Pelargonic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Colorless, oily liquid at ordinary temp; crystallizes when cooled |
| Odor | FATTY ODOR |
| Taste | UNPLEASANT TASTE |
| Boiling Point | 254.5 °C |
| Melting Point | 12.4 °C |
| Flash Point | 133 °C (open cup) |
| Solubility | Soluble in ethanol, chloroform, ether |
| Density | 0.9052 g/cu cm at 20 °C |
| Vapor Density | 4.41 (Air = 1) |
| Vapor Pressure | 0.00165 [mmHg] |
| LogP | log Kow = 3.42 |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 8.08 mPa.sec at 20 °C |
| Heat of Combustion | -5,456.1 kJ/mol |
| Odor Threshold | Odor threshold = 3-9 ppm (detection) [HSDB] Odor threshold = "3.1 ppb (0.02 mg/m3) (detection) |
| Refractive Index | Index of refraction: 1.4343 at 20 °C/D |
| Dissociation Constants | pKa = 4.95 at 25 °C |
| Collision Cross Section | 143.33 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1268 1263 1263 1276 1260 1256 1269 1256 1280 1280 1260 1272 1295 1300 1302 1302 1303 1283 1255 1263 1263 1272 1244 1247 1239 1261 1256 1308 1241 1277 1300 1278 1278 1253 1280 1260 1279 1264.7 1279 1272 1276 |
| Other Experimental Properties | Acid value: 351 mg KOH/g |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 158.24 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 g/mol |
| Monoisotopic Mass | 158.130679813 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 99.7 |
| 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
Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane.