CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 145.00 °C. @ 15.00 mm Hg |
| Solubility | insoluble in water |
| Density | 0.889-0.893 |
| Refractive Index | 1.4531-1.460 |
| Kovats Retention Index | 1560 1553 1560 1568 1586 1566 1565 1576 1560 |
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 |
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 | 238.37 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 238.193280068 g/mol |
| Monoisotopic Mass | 238.193280068 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 281 |
| 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
Neryl isovalerate is a natural product found in Eupatorium cannabinum, Chamaemelum fuscatum, and other organisms with data available.