111-31-9
Product Name:
1-Hexanethiol
Formula:
C6H14S
Synonyms:
1-Mercaptohexane;Hexyl mercaptan;MCH;Mercaptan C6
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | N-hexanethiol is a colorless liquid with an unpleasant odor. |
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Boiling Point | 304 °F at 760 mmHg (NIOSH, 2023) |
Melting Point | -113 °F (NIOSH, 2023) |
Flash Point | 68 °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): 5.04 |
Vapor Pressure | Vapor pressure, kPa at 40 °C: 0.16 |
LogP | 5.35 |
Odor Threshold | Odor Threshold Low: 2.44 [ppm] |
Refractive Index | 1.444-1.452 |
Kovats Retention Index | 918 904 904 917 918 910 920 901 908 909 909 914.3 903 |
Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
Molecular Weight | 118.24 g/mol |
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XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 4 |
Exact Mass | 118.08162162 g/mol |
Monoisotopic Mass | 118.08162162 g/mol |
Topological Polar Surface Area | 1 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 27.4 |
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
N-hexanethiol is a colorless liquid with an unpleasant odor.