CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid with a green, fruity, buttery odour |
|---|---|
| Boiling Point | 96.00 °C. @ 20.00 mm Hg |
| Solubility | very slightly |
| Density | 0.860-0.899 |
| Refractive Index | 1.420-1.435 |
| Kovats Retention Index | 1165 1166 1167.3 1165 1166 1169 1170.4 1166 1167 1155 1169 1170 1170 1173 1150 1170 1170 1174 1154 1163 1173 1170 1159 1166 1167 1176 1162 1163 1166 1167 1167 1167 1167 1167 1167 1166 1168 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.25 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 170.130679813 g/mol |
| Monoisotopic Mass | 170.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 139 |
| 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
Cis-3-hexenyl butyrate is a fatty acid ester.