CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid/rosy-fruity odour |
|---|---|
| Boiling Point | 249.00 °C. @ 760.00 mm Hg |
| Solubility | miscible with alcohol, chloroform, ether, most fixed oils; insoluble in water |
| Density | 0.870-0.880 |
| Refractive Index | 1.440-1.448 |
| Kovats Retention Index | 1470 1469 1468 1466 1469 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
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. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 226.35 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 226.193280068 g/mol |
| Monoisotopic Mass | 226.193280068 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 225 |
| 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
Citronellyl isobutyrate is a carboxylic ester.