1,3-butane dithiol
1,3-butanedithiol
 
Notes:
Used as a food additive [EAFUS]
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W2241 1,3-butanedithiol
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      02-44775 1,3-BUTANEDITHIOL, Kosher
       
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butane-1,3-dithiol (Click)
CAS Number: 24330-52-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 246-172-2
FDA UNII: 85VJA9KBCH
Nikkaji Web: J287.217J
MDL: MFCD00209500
CoE Number: 11910
XlogP3-AA: 1.60 (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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 538  1,3-butanedithiol
Flavis Number: 12.073 (Old)
DG SANTE Food Flavourings: 12.073  butane-1,3-dithiol
FEMA Number: 3529  1,3-butanedithiol
FDA Mainterm: 1,3-BUTANEDITHIOL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.05200 @  20.00 °C.
Refractive Index: 1.52600 to 1.53600 @  20.00 °C.
Boiling Point: 91.00 to  93.00 °C. @ 30.00 mm Hg
Vapor Pressure: 1.147000 mm/Hg @ 25.00 °C. (est)
Flash Point: 150.00 °F. TCC ( 65.56 °C. )
logP (o/w): 2.083 (est)
Soluble in:
 fats
 water, 1524 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: alliaceous
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 garlic  meaty  sulfurous  onion  spicy  
Odor Description:
at 0.10 % in propylene glycol. 
garlic meaty sulfury onion spicy
 garlic  meaty  sulfurous  roasted  garlic  onion  spicy  nutty  
Odor Description:
at 0.01 % in ethyl alcohol.  
Garlic, meaty sulfurous, roasted garlic and onion, spicy, with nutty nuances
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
 garlic  mushroom  bloody  metallic  roasted  burnt  rubbery  meaty  garlic  
Taste Description:
at 15.00 - 30.00 ppm. 
Garlic, mushroom, bloody metallic, roasted burnt rubber nuances, HVP and meaty, garlic
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
  
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Cosmetic Information:
None found
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Suppliers:
CTC Organics
1,3-butanedithiol
Parchem
1,3-butane dithiol
Penta International
1,3-BUTANEDITHIOL, Kosher
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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 1,3-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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 520119
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 butane-1,3-dithiol
Chemidplus: 0024330527
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References:
 butane-1,3-dithiol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 24330-52-7
Pubchem (cid): 520119
Pubchem (sid): 135263581
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB33552
FooDB: FDB011618
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: 1,3-Butanedithiol
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 garlic oil chinaFL/FR
 rum etherFL/FR
cheesy
S-(methyl thio) butyrateFL/FR
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
musty
 hazelnut pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 cocoa essenceFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl 3-mercaptobutyrateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 ferula assa-foetida absoluteFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
2-mercaptopropionic acidFL/FR
 methyl 3-(methyl thio) propionateFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-methyl 5-(methyl thio) furanFL/FR
 methyl mercaptanFL/FR
3-(methyl thio) hexanolFL/FR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-methyl pyrimidineFL
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
gamma-aminobutyric acidFL
 amyl mercaptanFL
1,2-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
 diethyl trisulfideFL
 diisopropyl sulfideFL
 diisopropyl trisulfideFL
 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
 dipropyl sulfideFL
 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
 ethyl isothiocyanateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl dihydrofuran thiolFL
 methyl methane thiosulfonateFL
2-methyl thiazolidineFL
4-(methyl thio) butanolFL
2-(methyl thio) ethanolFL
2-methyl-1-butane thiolFL
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
1,3-propane dithiolFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
3-thienyl mercaptanFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
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
 allyl thiopropionateFL
 benzyl mercaptanFL
 cyclopentyl mercaptanFL
 diethyl disulfideFL
 dimethyl trisulfideFL/FR
 dipropyl trisulfideFL
 garlic oil chinaFL/FR
2-methyl thioacetaldehydeFL
3-tetrahydrothiophenoneFL
 truffle sulfideFL
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
 rum etherFL/FR
chemical
2,5-dimethyl furanFL
chocolate
 cocoa essenceFL/FR
citrus
 grapefruit mercaptanFL/FR
cocoa
 butyraldehydeFL
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
 methyl furfuryl thiolFL
earthy
 difurfuryl sulfideFL
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
fatty
 dimethyl sulfoxideFL
4-methyl nonanoic acidFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
4-allyl-2,6-dimethoxyphenolFL
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
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
3-(methyl thio) hexanolFL/FR
musty
 hazelnut pyrazineFL/FR
2-methyl 5-(methyl thio) furanFL/FR
S-(methyl thio) butyrateFL/FR
nutty
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-methyl pyrazineFL/FR
 nutty thiazoleFL
onion
 ethyl 2-mercaptopropionateFL/FR
 furfuryl isopropyl sulfideFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
phenolic
2-ethyl benzene thiolFL
popcorn
2-propionyl-2-thiazolineFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
 furfuryl thioacetateFL/FR
 hexyl mercaptanFL
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
seafood
1,4-dithianeFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allyl sulfideFL
2,3-butane dithiolFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 fish thiolFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl mercaptanFL/FR
1-(methyl thio)-2-butanoneFL
2-methyl thiopheneFL
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
 roasted butanolFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 tyramineFL
 
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Potential Uses:
 beefFL
 butterFL
 cheeseFL
 fishFL
 garlicFL
 liver 
 mushroomFL
 nutFL
 onionFL
 porkFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butane-1,3-dithiol
1,3-butanedithiol
1,3-dimercaptobutane
 garlic dithiol
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