5396-89-4
Product Name:
BENZYL ACETOACETATE
Formula:
C11H12O3
Synonyms:
AC-benzyl;Acetoacetic acid benzyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless oily liquid with a balsamic, herbaceous, fruity odour |
|---|---|
| Boiling Point | 156.00 to 159.00 °C. @ 10.00 mm Hg |
| Melting Point | 162.00 to 164.00 °C. @ 16.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 1.112-1.120 |
| Refractive Index | 1.498-1.520 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.21 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.078644241 g/mol |
| Monoisotopic Mass | 192.078644241 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205 |
| 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
Benzyl acetoacetate is a carboxylic ester. It is functionally related to a benzyl alcohol.