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2,3-Butanedithiol

2,3-Butanedithiol structure

CAS No:
4532-64-3
Formula:
C4H10S2
Chemical Name:
2,3-Butanedithiol
Synonyms:
2,3-Butanedithiol;2,3-Dimercaptobutane
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

2,3-Butanedithiol is an alkanethiol.

2,3-Butanedithiol Basic Attributes

Molecular Weight：

122.25

Exact Mass：

122.25

EC Number：

224-870-8

UNII：

69G298U39K

DSSTox ID：

DTXSID5047089

HScode：

2930909090

Characteristics

PSA：

XLogP3：

2.00

Density：

1.0±0.1 g/cm3

Melting Point：

-53.9°C (estimate)

Boiling Point：

86-87 °C @ Press: 50 Torr

Flash Point：

126 °F

Refractive Index：

1.500

Water Solubility：

insoluble in water; miscble in fat

Vapor Density：

>1 (vs air)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3336 3/PG 3

wgk germany：

hazard class code：

10-22-36/37/38

safety instructions：

16-26

Marks：

Precautionary statement(s)：

P210-P305 + P351 + P338-P370 + P378

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1414 companies from 4 notifications to the ECHA C&L Inventory.

2,3-Butanedithiol Use and Manufacturing

Methods of Manufacturing

Spices for food. Used for roast beef, Italian sausage, coffee, etc.

Manufacturing Info：

2,3-Butanedithiol: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:122.3
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:122.02239267
Monoisotopic Mass:122.02239267
Topological Polar Surface Area:2
Heavy Atom Count:6
Complexity:30.5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,3-Butanedithiol/2,3-Dimercaptobutane CAS 4532-64-3

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Guide of 2,3-Butanedithiol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,3-Butanedithiol

SDS

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