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1,1-Diethoxy-3-(methylthio)propane

1,1-Diethoxy-3-(methylthio)propane structure

CAS No:
16630-61-8
Formula:
C8H18O2S
Chemical Name:
1,1-Diethoxy-3-(methylthio)propane
Synonyms:
Propane,1,1-diethoxy-3-(methylthio)-;Propionaldehyde,3-(methylthio)-,diethyl acetal;1,1-Diethoxy-3-(methylthio)propane;1,1-Diethoxy-3-(methylsulfanyl)propane;1,1-Diethoxy-3-methylsulfanyl-propane

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Description

Clear colourless to pale yellow liquid; Pungent cabbage aroma

Methional diethyl acetal is an acetal.

1,1-Diethoxy-3-(methylthio)propane Basic Attributes

Molecular Weight：

178.29200

Exact Mass：

178.29

EC Number：

240-681-3

UNII：

X22S1I598Y

DSSTox ID：

DTXSID10168089

HScode：

2930909090

Characteristics

PSA：

43.76000

XLogP3：

2.13860

Density：

0.96 g/cm³ @ Temp: 20 °C

Boiling Point：

68-74 °C @ Press: 0.7 Torr

Flash Point：

93.2ºC

Refractive Index：

1.451

Water Solubility：

1686 mg/L @ 25 °C (est)|Practically insoluble or insoluble in water|Soluble (in ethanol)

Vapor Pressure：

0.0993mmHg at 25°C

1,1-Diethoxy-3-(methylthio)propane Use and Manufacturing

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:178.29
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:178.10275099
Monoisotopic Mass:178.10275099
Topological Polar Surface Area:43.8
Heavy Atom Count:11
Complexity:72.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Diethoxy-3-(methylthio)propane

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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