CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid/fruity, rose-like odour |
|---|---|
| Solubility | soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water |
| Density | 0.889-0.904 |
| Refractive Index | 1.455-1.462 |
| Kovats Retention Index | 1559 1534 1537 1536.9 1540 1539.4 1542.6 1531 1531 1535 1543 1531 1534 1534 1534 1532 1529 1534 1534 1534 1532 1544 1530 1534 1565 1556 1523 1532 1549 1534 1540 1544 1529 1531 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 224.34 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 224.177630004 g/mol |
| Monoisotopic Mass | 224.177630004 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 258 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Geranyl butyrate is a natural product found in Origanum syriacum, Pelargonium ternifolium, and other organisms with data available.