105-68-0
Product Name:
Isoamyl propionate
Formula:
C8H16O2
Synonyms:
Amyl propionate;Isoamyl propionate;Propionic acid isoamyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid with a fruity, apricot, pineapple-like odour |
|---|---|
| Boiling Point | 159.00 to 161.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water |
| Density | 0.866-0.871 |
| Refractive Index | 1.405-1.409 |
| Kovats Retention Index | 948 949 950 950 937 947 950 958 961 955 953 933 948 948 954 955 952 952 948 951.8 954 952 954 954 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
| Molecular Weight | 144.21 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 g/mol |
| Monoisotopic Mass | 144.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 97.4 |
| 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
Isoamyl propanoate is a propanoate ester of isoamylol. It has a role as a metabolite. It is functionally related to an isoamylol.