CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Crystals from alcohol, propanol, or ether |
| Odor | ODORLESS OR FAINTLY FATTY ODOR |
| Taste | FATTY FRUITY TASTE |
| Boiling Point | 343 °C |
| Melting Point | 27 °C |
| Flash Point | 320 °F (160 °C) (CLOSED CUP) |
| Solubility | Insoluble in water; soluble in ethanol; very soluble in acetone |
| Density | 0.854 @ 25 °C/4 °C |
| Vapor Density | 11.4 (AIR= 1) |
| Vapor Pressure | 0.0000058 [mmHg] |
| Stability/Shelf Life | STABLE LIQUID |
| Autoignition Temperature | 671 °F (355 °C) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | Index of refraction: 1.4328 @ 50 °C/D |
| Collision Cross Section | 187.44 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
| Kovats Retention Index | 2362 2361 2374 2374 2369 2362 2362 |
| Other Experimental Properties | Wt/gal= 7.14 lb/gal @ 20 °C |
| Chemical Classes | Other Classes -> Stearates |
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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 340.6 g/mol |
|---|---|
| XLogP3 | 9.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 20 |
| Exact Mass | 340.334130642 g/mol |
| Monoisotopic Mass | 340.334130642 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 250 |
| 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
Butyl octadecanoate is a fatty acid ester that is the butyl ester of stearic acid. It has a role as an algal metabolite. It is functionally related to an octadecanoic acid.