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Home > Encyclopedia > 1,4-Butanedithiol

1,4-Butanedithiol

1,4-Butanedithiol structure

1,4-Butanedithiol 

structure
  • CAS No:

    1191-08-8

  • Formula:

    C4H10S2

  • Chemical Name:

    1,4-Butanedithiol

  • Synonyms:

    1,4-Butanedithiol;Tetramethylenedithiol;1,4-Dimercaptobutane;NSC 60198;1,4-Dithiolbutane

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

clear colorless to pale yellow liquid

1,4-Butanedithiol Basic Attributes

122.25

122.25

214-728-3

7JD227IUMC

60198

DTXSID0061589

29309090

Characteristics

77.60000

1.97

clear colorless to pale yellow liquid

1.042 g/mL at 25 °C(lit.)

-53.9 °C

195.5 °C

>230 °F

n 20/D 1.529(lit.)

0.563mmHg at 25°C

Safety Information

UN 2810 6.1/PG 3

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,4-Butanedithiol Use and Manufacturing

1,4-Butanedithiol: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:122.3
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:122.02239267
Monoisotopic Mass:122.02239267
Topological Polar Surface Area:2
Heavy Atom Count:6
Complexity:17.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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