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Methyl octyl sulfide

Methyl octyl sulfide structure

CAS No:
3698-95-1
Formula:
C9H20S
Chemical Name:
Methyl octyl sulfide
Synonyms:
Octane,1-(methylthio)-;Sulfide,methyl octyl;1-(Methylthio)octane;Methyl octyl sulfide;Octyl methyl sulfide;2-Thiadecane;n-Octyl methyl sulfide;Methyl 1-octyl sulfide;1-Methylthiooctane;Methyl n-octyl sulfide;1-Methylsulfanyloctane
Categories:
Dyes and Pigments > Pigment

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Description

Clear colourless liquid; Pungent unpleasant odour

Methyl octyl sulfide Basic Attributes

Molecular Weight：

160.32000

Exact Mass：

160.32

EC Number：

223-029-2

UNII：

L68L019D9G

DSSTox ID：

DTXSID00190470

HScode：

2930909090

Characteristics

PSA：

25.30000

XLogP3：

3.70990

Appearance：

Clear colourless liquid; Pungent unpleasant odour

Density：

0.839g/cm3

Melting Point：

-47.39°C (estimate)

Boiling Point：

90-91 °C @ Press: 18 Torr

Flash Point：

89.2ºC

Refractive Index：

1.454

Water Solubility：

Soluble in water

Safety Information

safety instructions：

S23-S24/25

Methyl octyl sulfide 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:160.32
XLogP3:4.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:160.12857181
Monoisotopic Mass:160.12857181
Topological Polar Surface Area:25.3
Heavy Atom Count:10
Complexity:52.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes