68698-59-9
Product Name:
TRANS-2-HEXENYL ISOVALERATE
Formula:
C11H20O2
Synonyms:
2-Hexenyl 3-methylbutanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; Fruity-buttery aroma |
|---|---|
| Boiling Point | 105.00 °C. @ 20.00 mm Hg |
| Solubility | Soluble in fats; Insoluble in water |
| Density | 0.875-0.885 |
| Refractive Index | 1.425-1.435 |
| Kovats Retention Index | 1244.9 1245 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| 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 | 184.27 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 184.146329876 g/mol |
| Monoisotopic Mass | 184.146329876 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-hexenyl isovalerate is a fatty ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of 2-hexen-1-ol. It has a role as a volatile oil component. It is functionally related to an isovaleric acid and a 2-hexen-1-ol.