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3-Mercapto-2-butanone

3-Mercapto-2-butanone structure

CAS No:
40789-98-8
Formula:
C4H8OS
Chemical Name:
3-Mercapto-2-butanone
Synonyms:
2-Butanone,3-mercapto-;3-Mercapto-2-butanone;2-Mercapto-3-butanone;3-Sulfanylbutan-2-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Colorless liquid

colourless or pale yellow liquid, becomes cloudy after short storage

3-Mercapto-2-butanone is a ketone.

3-Mercapto-2-butanone Basic Attributes

Molecular Weight：

104.17

Exact Mass：

104.17

EC Number：

255-082-2

HScode：

2930909090

Characteristics

PSA：

18.1

XLogP3：

0.67

Appearance：

colourless or pale yellow liquid, becomes cloudy after short storage

Density：

1.0±0.1 g/cm3

Boiling Point：

39 °C @ Press: 8 Torr

Flash Point：

117 °F

Refractive Index：

1.449

Water Solubility：

slightly soluble in water; soluble in alcohol, ether, pyridine and aqueous alkalis

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

26-36

RTECS Number：

EL9050000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (11.61%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1456 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Mercapto-2-butanone Use and Manufacturing

Methods of Manufacturing

It is formed by the reaction of oxy compounds with sulfur or polysulfides and ammonia at room temperature.

Uses

Used as food flavor

Manufacturing Info：

2-Butanone, 3-mercapto-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:104.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:104.02958605
Monoisotopic Mass:104.02958605
Topological Polar Surface Area:18.1
Heavy Atom Count:6
Complexity:60.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium hydrosulfide

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CAS No.: 40789-98-8

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Content: 98%

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3-Mercaptobutan-2-one CAS 40789-98-8

CAS No.: 40789-98-8

Grade: Food Grade

Content: 98%

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Guide of 3-Mercapto-2-butanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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3-Mercapto-2-butanone

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