1639-09-4
Product Name:
1-Heptanethiol
Formula:
C7H16S
Synonyms:
1-Heptanethiol;Heptyl mercaptan;Mercaptan C7
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-heptanethiol is a colorless liquid with a strong unpleasant odor. Mp: -41.3 °C; bp: 177 °C. Density: 0.84 g cm-3. Insoluble in water. |
|---|---|
| Boiling Point | 351 °F at 760 mmHg (NIOSH, 2023) |
| Melting Point | -46 °F (NIOSH, 2023) |
| Flash Point | 115 °F (NIOSH, 2023) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.84 (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 4.6 |
| Vapor Pressure | 1.31 [mmHg] |
| LogP | 3.7 |
| Viscosity | 1.24 cP at 20 °C |
| Refractive Index | 1.497-1.503 |
| Kovats Retention Index | 1018 1020 1011 1020 1013 1055 1018.4 |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226: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. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
| Molecular Weight | 132.27 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 132.09727168 g/mol |
| Monoisotopic Mass | 132.09727168 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 35.4 |
| 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
1-heptanethiol is a colorless liquid with a strong unpleasant odor. Mp: -41.3 °C; bp: 177 °C. Density: 0.84 g cm-3. Insoluble in water.