CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 238.00 to 240.00 °C. @ 760.00 mm Hg |
| Melting Point | 21.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water, glycols, glycerol; soluble in organic solvents, oils |
| Density | 1.005-1.012 |
| Refractive Index | 1.490-1.500 |
| Kovats Retention Index | 1312 1307 1325 1318 1311.1 1312.8 1325 1335 1306 1315.8 1337 1337 1340 1322 1305 1311 1314 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H303:Acute toxicity,oral |
| Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
| Molecular Weight | 178.23 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 178.099379685 g/mol |
| Monoisotopic Mass | 178.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 148 |
| 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
Phenylmethyl butanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.