CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless oily liquid with a green, floral, leafy odour |
|---|---|
| Boiling Point | 242.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 0.994-0.999 |
| LogP | 3.230 |
| Refractive Index | 1.489-1.496 |
| Kovats Retention Index | 1305 1310 1315 1312 1318 1308 1319 1331 1312 1318 1327 1308 1298 1308 1326 1310 1306 1306.5 1306 1307.4 1302 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 | 178.23 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.099379685 g/mol |
| Monoisotopic Mass | 178.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 158 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isobutyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with isobutanol. It has a role as a metabolite. It is functionally related to a benzoic acid and an isobutanol.