CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid with a sweet-sour, buttermilk odour |
|---|---|
| Solubility | slightly soluble in water; soluble in organic solvents, oils, propylene glycol |
| Density | 0.966-0.978 |
| Refractive Index | 1.417-1.427 |
| Kovats Retention Index | 1733 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 216.27 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 216.13615911 g/mol |
| Monoisotopic Mass | 216.13615911 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 201 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Butyl butyryllactate is a diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol. It has a role as a flavouring agent and a plant metabolite. It is a diester and a butyrate ester. It is functionally related to a 2-hydroxypropanoic acid and a butan-1-ol.