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1455-21-6

1455-21-6 structural image
Product Name: 1-Nonanethiol
Formula: C9H20S
Synonyms: 1-Nonyl mercaptan;Mercaptan C9
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-nonanethiol is a colorless liquid with a bad smell. Mp: -21 °C; bp: 220 °C. Density: 0.840 g cm-3 at 25 °C. Combustible liquid.
Boiling Point 220 °C
Melting Point -20 °C
Flash Point 78 °C
Solubility Insoluble (NIOSH, 2023)
Density Relative density (water = 1): 0.84
Vapor Density Relative vapor density (air = 1): 5.5
Vapor Pressure 0.13 [mmHg]
Kovats Retention Index 1218 1219 1219 1218
Chemical Classes Other Classes -> Thiols

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes 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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 160.32 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 7
Exact Mass 160.12857181 g/mol
Monoisotopic Mass 160.12857181 g/mol
Topological Polar Surface Area 1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 52.7
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-nonanethiol is a colorless liquid with a bad smell. Mp: -21 °C; bp: 220 °C. Density: 0.840 g cm-3 at 25 °C. Combustible liquid.