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4,4′-Thiobis[2-butanone]

4,4′-Thiobis[2-butanone] structure

CAS No:
40790-04-3
Formula:
C8H14O2S
Chemical Name:
4,4′-Thiobis[2-butanone]
Synonyms:
2-Butanone,4,4′-thiobis-;2-Butanone,4,4′-thiodi-;4,4′-Thiobis[2-butanone];5-Thianona-2,8-dione;NSC 42865;4,4′-Thiodi(2-butanone)

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Description

4,4'-Thiobis-2-butanone is a ketone.

4,4′-Thiobis[2-butanone] Basic Attributes

Molecular Weight：

174.26

Exact Mass：

174.26

UNII：

YYI4W02CLD

NSC Number：

42865

DSSTox ID：

DTXSID8068254

HScode：

2930909090

Characteristics

PSA：

59.44000

XLogP3：

1.67780

Density：

1.032g/cm3

Boiling Point：

108-114 °C @ Press: 1-2 Torr

Flash Point：

121.3ºC

Refractive Index：

1.47

Water Solubility：

9.293e+004 mg/L @ 25 °C (est)

4,4′-Thiobis[2-butanone] Use and Manufacturing

Uses

Spices for food.

Manufacturing Info：

2-Butanone, 4,4'-thiobis-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:174.26
XLogP3:0.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:174.07145086
Monoisotopic Mass:174.07145086
Topological Polar Surface Area:59.4
Heavy Atom Count:11
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4′-Thiobis[2-butanone]

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

4,4′-Thiobis[2-butanone]

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