CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Allyl isovalerate is a clear colorless to pale yellow liquid with overripe fruit odor and an apple taste. (NTP, 1992) |
|---|---|
| Color/Form | LIQUID |
| Odor | PLEASANT OVER-RIPE FRUIT ODOR |
| Taste | APPLE TASTE |
| Boiling Point | 306.1 °F at 729 mmHg (NTP, 1992) |
| Flash Point | 103.5 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 61.7 °F (NTP, 1992) |
| Density | 0.882 at 75 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 13 mmHg at 71.6 °F ; 16.8 mmHg at 86.0 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.4162 @ 21 °C |
| Kovats Retention Index | 915 920 915 |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H301:Acute toxicity,oral H311:Acute toxicity,dermal 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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 | 142.20 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.099379685 g/mol |
| Monoisotopic Mass | 142.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116 |
| 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
Allyl isovalerate is a clear colorless to pale yellow liquid with overripe fruit odor and an apple taste. (NTP, 1992)