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5332-52-5

5332-52-5 structural image
Product Name: 1-UNDECANETHIOL
Formula: C11H24S
Synonyms: 11-Mercapto-1-undecanol;1-UDT;Undecyl Mercaptan
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-undecanethiol is a liquid with a bad smell. Mp: -3 °C; bp: 259.5 °C. Density: 0.841 g cm-3 at 25 °C.
Boiling Point 495 °F at 760 mmHg (NIOSH, 2023)
Melting Point 27 °F (NIOSH, 2023)
Flash Point 109 °C
Solubility Insoluble (NIOSH, 2023)
Density 0.84 (NIOSH, 2023) - Less dense than water; will float
Kovats Retention Index 1435 1435
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 188.38 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 9
Exact Mass 188.15987194 g/mol
Monoisotopic Mass 188.15987194 g/mol
Topological Polar Surface Area 1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 71.4
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-undecanethiol is a liquid with a bad smell. Mp: -3 °C; bp: 259.5 °C. Density: 0.841 g cm-3 at 25 °C.