1,4-Butanedithiol
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1,4-Butanedithiol
structure -
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CAS No:
1191-08-8
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Formula:
C4H10S2
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Chemical Name:
1,4-Butanedithiol
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Synonyms:
1,4-Butanedithiol;Tetramethylenedithiol;1,4-Dimercaptobutane;NSC 60198;1,4-Dithiolbutane
- Categories:
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CAS No:
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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