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1639-09-4

1639-09-4 structural image
Product Name: 1-Heptanethiol
Formula: C7H16S
Synonyms: 1-Heptanethiol;Heptyl mercaptan;Mercaptan C7
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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.