334-48-5
Product Name:
Decanoic acid
Formula:
C10H20O2
Synonyms:
Decanoic acid;Capric acid;C10:0;1-Nonanecarboxylic acid;Acid C10
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Decanoic acid is a white crystalline solid with a rancid odor. Melting point 31.5 °C. Soluble in most organic solvents and in dilute nitric acid; non-toxic. Used to make esters for perfumes and fruit flavors and as an intermediate for food-grade additives. |
|---|---|
| Color/Form | Crystalline solid |
| Odor | Rancid odor |
| Boiling Point | 514 to 518 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 88.7 °F (NTP, 1992) |
| Flash Point | 235 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Density | 0.893 (USCG, 1999) - Less dense than water; will float |
| Vapor Pressure | 1 mmHg at 257 °F ; 5 mmHg at 287.6 °F; 760 mmHg at 515.1 °F (NTP, 1992) |
| LogP | 4.09 |
| LogS | -3.44 |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 4.30 mPa.sec (= cP) at 50 °C |
| Heat of Combustion | -6,108.7 kJ/mol |
| Surface Tension | 25.0 mN/m (= dyn/cm) at 70 °C |
| Ionization Efficiency | Positive |
| Odor Threshold | Odor Threshold Low: 0.0071 [mmHg] Odor Threshold High: 0.01 [mmHg] Odor threshold (detection and recognition) from CHEMINFO |
| Dissociation Constants | 4.9 |
| Collision Cross Section | 146.87 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1344 1350 1353 1359 1370 1360 1360 1360 1386 1354 1388 1388 1374 1374 1355 1335 1365 1347 1348 1356 1349 1352 1362 1363 1396 1400 1362 1368 1363 1372 1363 1371 1390 1371 1350 1348 1375.1 1389 1353 1358 1399 |
| Other Experimental Properties | Acid value: 320 to 330 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 | 172.26 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 172.146329876 g/mol |
| Monoisotopic Mass | 172.146329876 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 110 |
| 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
Decanoic acid is a white crystalline solid with a rancid odor. Melting point 31.5 °C. Soluble in most organic solvents and in dilute nitric acid; non-toxic. Used to make esters for perfumes and fruit flavors and as an intermediate for food-grade additives.