505-32-8
Product Name:
Isophytol
Formula:
C20H40O
Synonyms:
3,7,11,15-Tetramethyl-1-hexadecen-3-ol
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Oily liquid; [Merck Index] |
|---|---|
| Color/Form | Oily liquid |
| Boiling Point | 107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg |
| Solubility | Very soluble in benzene, ether, ethanol |
| Density | 0.8519 at 20 °C/4 °C |
| Vapor Pressure | 5.8X10-10 mm Hg at 25 °C (extrapolated) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Surface Tension | 28.47 millinewton/m at 20 °C |
| Refractive Index | Index of refraction: 1.4571 at 20 °C |
| Kovats Retention Index | 1938 1956 1944 1942 1920 1944 1946 1940 1938 1939 1922 1932 1930 1940 1950 1950 |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 296.5 g/mol |
|---|---|
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 13 |
| Exact Mass | 296.307915895 g/mol |
| Monoisotopic Mass | 296.307915895 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 259 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isophytol is a natural product found in Chromolaena odorata, Lonicera japonica, and other organisms with data available.