CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Allyl propyl disulfide is a clear pale yellow liquid with a pungent odor. (NTP, 1992) |
|---|---|
| Color/Form | Liquid |
| Odor | Pungent, irritating odor |
| Taste | TASTE LIKE THAT OF COOKED ONIONS |
| Boiling Point | 66-68 °C at 16 mm Hg |
| Melting Point | 5 °F (NTP, 1992) |
| Flash Point | 133.3 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 0.93 at 59 °F (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 5.1 |
| Vapor Pressure | 0.39 [mmHg] |
| Decomposition | When heated to decomposition it emits highly toxic /sulfur oxides/. |
| Refractive Index | INDEX OF REFRACTION: 1.5219 @ 20 °C/D |
| Kovats Retention Index | 1077 1088 1077 1058 |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. 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. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 148.3 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.03804273 g/mol |
| Monoisotopic Mass | 148.03804273 g/mol |
| Topological Polar Surface Area | 50.6 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 52.5 |
| 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
Allyl propyl disulfide is a clear pale yellow liquid with a pungent odor. (NTP, 1992)