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 |
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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.