123-68-2
Product Name:
Allyl hexanoate
Formula:
C9H16O2
Synonyms:
2-Propenyl hexanoate;Allyl caproate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water and in propylene glycol, soluble in ethanol, fixed and organic oils, and soluble in organic solvents |
| Density | 0.884-0.890 |
| Refractive Index | 1.422-1.426 |
| Kovats Retention Index | 1061 1062 1062 1056 1057 1065 1065 1057 1056 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 156.22 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 156.115029749 g/mol |
| Monoisotopic Mass | 156.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 119 |
| 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
2-Propenyl hexanoate is a fatty acid ester.