106-27-4
Product Name:
Isoamyl butyrate
Formula:
C9H18O2
Synonyms:
Butyric acid (3-methylbutyl ester);Isoamyl butyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 179.00 °C. @ 760.00 mm Hg |
| Melting Point | -73.2 °C |
| Solubility | 118 mg/L @ 25 °C (exp) |
| Density | 0.861 - 0.866 |
| LogP | 3.250 |
| Refractive Index | 1.409 - 1.414 |
| Kovats Retention Index | 1086 1041 1041 1039 1039.4 1002 1041 1044 1039 1031 1029 1029 1039 1046 1039 1042 1029 1040.3 1042 1042 1038 1039 1042 1040 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids H412:Hazardous to the aquatic environment, long-term hazard |
| 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. P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 158.24 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 g/mol |
| Monoisotopic Mass | 158.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 108 |
| 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 butyrate is the butanoate ester of isoamylol. It has a role as a metabolite. It is functionally related to an isoamylol.