1,3-Butanedithiol
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1,3-Butanedithiol
structure -
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CAS No:
24330-52-7
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Formula:
C4H10S2
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Chemical Name:
1,3-Butanedithiol
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Synonyms:
1,3-Butanedithiol;1,3-Dimercaptobutane
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CAS No:
Description
1,3-Butanedithiol has a meaty, garlic, sulfurous, garlic/onion, spicy odor.
liquid with meaty odour
1,3-Butanedithiol is an alkanethiol.
Characteristics
2
1.62460
liquid with meaty odour
0.993 g/cm3
-53.9°C (estimate)
125 °C @ Press: 31 Torr
150 °F
n20/D 1.522(lit.)
insoluble in water; miscible in fat
1.15mmHg at 25°C
1,3-Butanedithiol Use and Manufacturing
Spices for food.
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:122.3
XLogP3:1.6
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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