502-47-6
Product Name:
CITRONELLIC ACID
Formula:
C10H18O2
Synonyms:
3,7-Dimethyl-6-octenoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 121.00 to 122.00 °C. @ 1.00 mm Hg |
| Melting Point | 257 °C |
| Solubility | slightly |
| Density | 0.920-0.926 (20°) |
| Refractive Index | 1.455-1.462 |
| Kovats Retention Index | 1287 1305 1300 |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H311:Acute toxicity,dermal H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.25 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 170.130679813 g/mol |
| Monoisotopic Mass | 170.130679813 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 167 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Citronellic acid is a monounsaturated fatty acid that is oct-6-enoic acid carrying methyl groups at positions 3 and 7. It has a role as a plant metabolite and a flavouring agent. It is a monoterpenoid, a medium-chain fatty acid and a monounsaturated fatty acid. It is functionally related to a citronellal.