2639-63-6
Product Name:
Hexyl butyrate
Formula:
C10H20O2
Synonyms:
Butyric acid hexyl ester, Hexyl butanoate;Hexyl butanoate;Hexyl butyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 204.00 to 206.00 °C. @ 760.00 mm Hg |
| Melting Point | -78 °C |
| Density | 0.858-0.869 |
| Refractive Index | 1.413-1.419 |
| Kovats Retention Index | 1176 1171 1174 1175 1177 1173 1178 1143 1176 1177 1174 1175 1178 1178 1178 1178 1179 1188 1182 1185 1187 1173 1175 1183 1156 1156 1177 1177 1192 1156 1173 1175 1154 1176 1175 1177 1182 1176 1170 1173 1173 1175 1175 1173 1174 1175 1179 1185 1175 1176 |
| Chemical Classes | Solvents -> Esters (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 172.26 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 172.146329876 g/mol |
| Monoisotopic Mass | 172.146329876 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 110 |
| 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
Hexyl butyrate is a fatty acid ester obtained by the formal condensation of hexanol with butyric acid. It has a role as an animal metabolite. It is functionally related to a butyric acid and a hexan-1-ol.