CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
Melting Point | -57.5 °C |
Solubility | slightly |
Density | 0.8555 (30°/30°) |
Refractive Index | 1.4231 |
Kovats Retention Index | 1276 1279 1286 1287 1272 1270 1273 1276 1275 1274 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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 | 186.29 g/mol |
---|---|
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 9 |
Exact Mass | 186.161979940 g/mol |
Monoisotopic Mass | 186.161979940 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 121 |
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
Heptyl butyrate is a fatty acid ester.