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.