110-66-7
Product Name:
1-Pentanethiol
Formula:
C5H12S
Synonyms:
PT;1-Pentanethiol;Amyl mercaptan;Amyl mercaptan, Pentyl mercaptan;Mercaptan C5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Amyl mercaptan appears as a clear colorless to light-yellow liquid with an offensive odor. Flash point 65 °F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. May be toxic by inhalation. |
|---|---|
| Color/Form | Liquid |
| Odor | Penetrating, unpleasant odor |
| Boiling Point | 248 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -105 °F (USCG, 1999) |
| Flash Point | 65 °F (USCG, 1999) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.8392 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 3.59 (Air = 1) |
| Vapor Pressure | 14 mmHg at 77 °F (NIOSH, 2023) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Optical rotation: +3.12 deg at 23 °C |
| Decomposition | Decomposes on burning. This produces toxic and corrosive fumes including hydrogen sulfide and sulfur oxides. |
| Heat of Combustion | -17,070 Btu/lb = -9,480 cal/g = -397X10+5 J/kg |
| Heat of Vaporization | -171 Btu/lb = -94.9 cal/g = -3.97X10+5 J/kg |
| Surface Tension | 26.8 dynes/cm = 0.0268 N/m at 20 °C |
| Odor Threshold | Odor Threshold Low: 0.0008 [mmHg] Odor threshold from HSDB |
| Refractive Index | Index of refraction: 1.4499 at 20 °C/D |
| Kovats Retention Index | 819 822 795 811.6 803 |
| Other Experimental Properties | Specific gravity: 0.857 at 20 °C/4 °C |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids |
| 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. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 104.22 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 104.06597156 g/mol |
| Monoisotopic Mass | 104.06597156 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 19.9 |
| 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
Amyl mercaptan appears as a clear colorless to light-yellow liquid with an offensive odor. Flash point 65 °F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. May be toxic by inhalation.