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.