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1,2-Butanedithiol

1,2-Butanedithiol structure

1,2-Butanedithiol 

structure
  • CAS No:

    16128-68-0

  • Formula:

    C4H10S2

  • Chemical Name:

    1,2-Butanedithiol

  • Synonyms:

    1,2-Butanedithiol;1,2-Dithiolbutane;1,2-Dimercaptobutane;1-Ethyl-1,2-ethanedithiol

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

1,2-Butanedithiol has a sulfur, roast meat odor.


liquid with sulfury, roasted meat odour


1,2-Butanedithiol is an alkanethiol.

1,2-Butanedithiol Basic Attributes

122.25

122.25

240-290-8

2930909090

Characteristics

2

2.19

Liquid

1.039 g/cm3 @ Temp: 20 °C

-53.9°C (estimate)

49 °C @ Press: 5 Torr

61.1±15.1 °C

1.5210 to 1.5250

1524 mg/L @ 25 °C (est)|insoluble in water; miscible in fat

1.47mmHg at 25°C

Safety Information

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1,2-Butanedithiol Use and Manufacturing

Uses

GB 2760-2002 stipulates the permitted food spices.

1,2-Butanedithiol: INACTIVE

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

Flavoring Agents

Computed Properties

Molecular Weight:122.3
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:122.02239267
Monoisotopic Mass:122.02239267
Topological Polar Surface Area:2
Heavy Atom Count:6
Complexity:28.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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