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136954-20-6

136954-20-6 structural image
Product Name: 3-Mercaptohexyl acetate
Formula: C8H16O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description clear liquid
Boiling Point 186.00 °C. @ 760.00 mm Hg
Solubility insoluble in water; soluble in ethanol and heptane
Density 0.991-0.996
Refractive Index 1.462-1.472
Kovats Retention Index 1227

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 176.28 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 176.08710092 g/mol
Monoisotopic Mass 176.08710092 g/mol
Topological Polar Surface Area 27.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 115
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-mercaptohexyl acetate is an acetate ester obtained by formal O-acetylation of 3-mercaptohexanol. It has a role as a Saccharomyces cerevisiae metabolite. It is an acetate ester and an alkanethiol. It is functionally related to a 3-mercaptohexanol.

RELATED SUPPLIERS

AARAV Fragrance and Flavours Pvt. Ltd.

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product:136954-20-6 3-Mercaptohexyl acetate 98%
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