103-38-8
Product Name:
BENZYL ISOVALERATE
Formula:
C12H16O2
Synonyms:
Benzyl 3-methylbutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with a powerful, fruity, apple odour |
|---|---|
| Boiling Point | 116.00 °C. @ 9.00 mm Hg |
| Solubility | insoluble in water; poorly soluble in glycerol, propylene glycol; soluble in oils |
| Density | 0.981-0.989 |
| LogP | 3.26 |
| Refractive Index | 1.482-1.490 |
| Kovats Retention Index | 1363 1364 1382 1382 1365 1365 1362 1374 1366 1364 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P321:Specific treatment (see … on this label). P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.25 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.115029749 g/mol |
| Monoisotopic Mass | 192.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 169 |
| 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
Benzyl 3-methylbutanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.