CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with sulfurous onion, garlic green vegetable odour |
|---|---|
| Solubility | insoluble in water |
| Density | 0.964-0.974 (20°) |
| Refractive Index | 1.474-1.489 |
| Kovats Retention Index | 1203 1206 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 148.27 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.09218630 g/mol |
| Monoisotopic Mass | 148.09218630 g/mol |
| Topological Polar Surface Area | 45.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 56.9 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-(Methylthio)-1-hexanol is a natural product found in Passiflora edulis with data available.