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4-(Methylthio)-4-methyl-2-pentanone

4-(Methylthio)-4-methyl-2-pentanone structure

CAS No:
23550-40-5
Formula:
C7H14OS
Chemical Name:
4-(Methylthio)-4-methyl-2-pentanone
Synonyms:
2-Pentanone,4-methyl-4-(methylthio)-;4-Methyl-4-(methylthio)-2-pentanone;4-Methylmercapto-4-methylpentan-2-one;4-(Methylthio)-4-methyl-2-pentanone
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

4-Methyl-4-(methylthio)-2-pentanone is a ketone.

4-(Methylthio)-4-methyl-2-pentanone Basic Attributes

Molecular Weight：

146.25

Exact Mass：

146.25

EC Number：

245-727-6

UNII：

G69HK72Q3Y

DSSTox ID：

DTXSID0066905

HScode：

2930909090

Characteristics

PSA：

42.4

XLogP3：

1.40

Density：

0.9±0.1 g/cm3

Boiling Point：

84 °C @ Press: 12 Torr

Flash Point：

>230 °F

Refractive Index：

1.459

Water Solubility：

7241 mg/L @ 25 °C (est)

Vapor Pressure：

0.293mmHg at 25°C

Safety Information

Packing level：

Transport codes：

1224

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

Not Classified

4-(Methylthio)-4-methyl-2-pentanone Use and Manufacturing

Methods of Manufacturing

It is formed by the addition of mesityl oxide and dimethyl sulfide. Derived from the reaction of acetone and methyl bismethylthio aluminum.

Uses

GB 2760-1996 stipulates that it is temporarily allowed to use food spices.

Manufacturing Info：

2-Pentanone, 4-methyl-4-(methylthio)-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:146.25
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:146.07653624
Monoisotopic Mass:146.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:9
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phenol

Acetone

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Guide of 4-(Methylthio)-4-methyl-2-pentanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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4-(Methylthio)-4-methyl-2-pentanone

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