1,2-butane dithiol
1,2-butanedithiol
 
Notes:
Used as a food additive [EAFUS]
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      16128-68-0 1,2-Butanedithiol
       
  • DeLong Chemicals America
    • DeLong Chemicals America
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      0211 1,2-Butanedithiol, Kosher
       
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      H0141 1,2-BUTANEDITHIOL, Kosher
       
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      02-44700 1,2-BUTANEDITHIOL
       
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    • Sunaux International
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      B4071 1,2-Butanedithiol >97.0%(GC)
       
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Synonyms   Articles   Notes   Search
CAS Number: 16128-68-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 240-290-8
FDA UNII: 2L7E5T7FUM
Nikkaji Web: J286.825C
MDL: MFCD00039649
CoE Number: 11909
XlogP3-AA: 1.80 (est)
Molecular Weight: 122.25370000
Formula: C4 H10 S2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 537  1,2-butanedithiol
DG SANTE Food Flavourings: 12.072  butane-1,2-dithiol
FEMA Number: 3528 1,2-butanedithiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):16128-68-0 ; 1,2-BUTANEDITHIOL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.03500 to 1.03900 @  20.00 °C.
Pounds per Gallon - (est).: 8.622 to  8.656
Refractive Index: 1.52100 to 1.52500 @  20.00 °C.
Boiling Point: 77.00 °C. @ 28.00 mm Hg
Vapor Pressure: 1.467000 mmHg @ 25.00 °C. (est)
Flash Point: 142.00 °F. TCC ( 61.11 °C. )
logP (o/w): 2.443 (est)
Soluble in:
 fats
 water, 1524 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 sulfurous  meaty roasted meaty  
Odor Description:
at 0.10 % in propylene glycol. 
sulfur roasted meat
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Ambles Nature et Chimie
1.2-BUTANEDITHIOL
BOC Sciences
For experimental / research use only.
1,2-Butanedithiol
Carbosynth
For experimental / research use only.
1,2-Butanedithiol
DeLong Chemicals America
1,2-Butanedithiol, Kosher
Jinan Enlighten Chemical Technology(Wutong Aroma )
1,2-Butanedithiol, Kosherk
M&U International
1,2-BUTANEDITHIOL, Kosher
Penta International
1,2-BUTANEDITHIOL
Sunaux International
1,2-Butanedithiol
Synerzine
*1,2-BUTANEDITHIOL
TCI AMERICA
For experimental / research use only.
1,2-Butanedithiol >97.0%(GC)
WholeChem
1,2-Butanedithiol
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1,2-butane dithiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 11
Click here to view publication 11
 average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: -0.20000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -0.20000
soft candy: --
soups: -0.20000
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf
Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 16128-68-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61829
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 butane-1,2-dithiol
Chemidplus: 0016128680
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References:
 butane-1,2-dithiol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 16128-68-0
Pubchem (cid): 61829
Pubchem (sid): 135017055
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB41492
FooDB: FDB021462
Export Tariff Code: 2930.90.9190
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: 1,2-Butanedithiol
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 methyl furfuryl disulfideFL/FR
 rum etherFL/FR
chocolate
2,6-dimethyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
 nutty pyrazineFL/FR
fermented
 ethyl crotonateFL/FR
fruity
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
2-heptyl furanFL/FR
(E,Z)-2,6-nonadienalFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
 hazelnut pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
phenolic
2,3-dimethyl benzofuranFL/FR
ortho-guaiacolFL/FR
4-vinyl phenolFL/FR
 pyroligneous acidsFL/FR
 benzothiazoleFL/FR
 cocoa essenceFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl 3-mercaptobutyrateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
2-mercaptopropionic acidFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-(methyl thio) phenolFL/FR
1-phenethyl mercaptanFL/FR
tobacco
 methyl benzoxoleFL/FR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-methyl pyrimidineFL
 amyl mercaptanFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
 dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazineFL
 dimethyl tetrasulfideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
bis(2,5-dimethyl-3-furyl) disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptobutyrateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
2-ethyl-3-methyl thiopyrazineFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
2-hexyl thiopheneFL
1-(3-hydroxy-5-methyl-2-thienyl) ethanoneFL
 massoia bark oilFL
3-mercapto-3-methyl butyl formateFL
4-mercapto-3-methyl-2-butanolFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl dihydrofuran thiolFL
 methyl methane thiosulfonateFL
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
2-methyl-1-butane thiolFL
4-methyl-2-(methyl thiomethyl)-2-hexenalFL
2-methyl-2-thiazolineFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-furyl tetrasulfideFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
1,9-nonane dithiolFL
 peanut dithiazineFL
1-phenethyl mercaptanFL/FR
1,3-propane dithiolFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
2-isopropyl-3-(methyl thio) pyrazineFL
 thiazoleFL
3-thienyl mercaptanFL
 thioacetic acidFL
3,5-diisopropyl-1,2,4-trithiolaneFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
3,5-dimethyl-1,2,4-trithiolaneFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,4-dimethyl-3-oxazolineFL
4-mercapto-2-pentanone 1% in acetoinFL
2-methyl-1-methyl thio-2-buteneFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
1-(2-thienyl) butanoneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dimethyl trisulfideFL/FR
3-mercapto-2-pentanoneFL
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
 rum etherFL/FR
chemical
2,3-dimethyl benzofuranFL/FR
2,5-dimethyl furanFL
chocolate
 cocoa essenceFL/FR
coconut
(R)-massoia lactoneFL
coffee
 coffee difuranFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 furfuryl mercaptanFL/FR
 methyl furfuryl disulfideFL/FR
 methyl furfuryl thiolFL
earthy
 difurfuryl sulfideFL
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
fatty
(E,E)-2,4-decadienalFL
2-heptyl furanFL/FR
4-methyl nonanoic acidFL/FR
2-pentyl thiopheneFL
fruity
 tropical trithianeFL/FR
green
4-methyl thiazoleFL
(E,Z)-2,6-nonadienalFL/FR
4-penten-1-yl acetateFL
meaty
4-allyl-2,6-dimethoxyphenolFL
 benzothiazoleFL/FR
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
 furfuryl 2-methyl-3-furyl disulfideFL
4-furfuryl thio-2-pentanoneFL
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 methyl thiofuryl butanalFL
12-methyl tridecanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-3-thioacetoxytetrahydrofuranFL
 phenyl mercaptanFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
moldy
 strawberry furanone methyl etherFL/FR
musty
2-ethoxythiazoleFL
 hazelnut pyrazineFL/FR
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-4-methyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,6-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-ethyl pyrazineFL/FR
 methyl benzoxoleFL/FR
2-methyl pyrazineFL/FR
 nutty pyrazineFL/FR
 nutty thiazoleFL
onion
 ethyl 2-mercaptopropionateFL/FR
 furfuryl isopropyl sulfideFL
 methionolFL
phenolic
2-ethyl benzene thiolFL
4-vinyl phenolFL/FR
popcorn
2-propionyl-2-thiazolineFL
radish
3-(methyl thio) propyl mercaptoacetateFL
roasted
 furfuryl thioacetateFL/FR
 hexyl mercaptanFL
rummy
 ethyl crotonateFL/FR
savory
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
smoky
 prosopis juliflora wood extractFL
 pyroligneous acidsFL/FR
sulfurous
2,3-butane dithiolFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
 roasted butanolFL
vegetable
 tyramineFL
wasabi
2-(methyl thio) ethyl acetateFL
woody
ortho-guaiacolFL/FR
yeasty
 faex extractsFL
 
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Potential Uses:
 meatFL
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Occurrence (nature, food, other): note
 onion
Search Trop  Picture
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Synonyms:
 butane-1,2-dithiol
1,2-butanedithiol
1,2-dimercaptobutane
1,2-dithiolbutane
1-ethyl-1,2-ethane dithiol
1-ethyl-1,2-ethanedithiol
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