EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1,3-butane dithiol
1,3-butanedithiol

Sponsors

Name:butane-1,3-dithiol
CAS Number: 24330-52-7Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1,3-BUTANEDITHIOL
 
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
 
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)
Flavor Type: alliaceous
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)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,3-Butanedithiol
Parchem
1,3-butane dithiol
Penta International
1,3-BUTANEDITHIOL, Kosher
Synerzine
1,3-Butanedithiol
 
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
 
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
 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: --
 
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
 
References:
 butane-1,3-dithiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:24330-52-7
Pubchem (cid):520119
Pubchem (sid):135263581
 
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
FAO:1,3-Butanedithiol
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
garlic oil china
FL/FR
burnt
rum ether
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
cocoa essence
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl 3-mercaptobutyrate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
methyl mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
diethyl trisulfide
FL
diisopropyl sulfide
FL
diisopropyl trisulfide
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
dipropyl sulfide
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptobutyrate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
ethyl isothiocyanate
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
methyl methane thiosulfonate
FL
2-
methyl thiazolidine
FL
4-(
methyl thio) butanol
FL
2-(
methyl thio) ethanol
FL
2-
methyl-1-butane thiol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL
1,3-
propane dithiol
FL
propyl 2-methyl-3-furyl disulfide
FL
iso
propyl disulfide
FL
3-
thienyl mercaptan
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
diethyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl trisulfide
FL
garlic oil china
FL/FR
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
chemical
2,5-
dimethyl furan
FL
chocolate
cocoa essence
FL/FR
citrus
grapefruit mercaptan
FL/FR
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl thiol
FL
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
dimethyl sulfoxide
FL
4-
methyl nonanoic acid
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
3-(
methyl thio) hexanol
FL/FR
musty
hazelnut pyrazine
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
S-(
methyl thio) butyrate
FL/FR
nutty
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N-(
heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
2,3-
butane dithiol
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
fish thiol
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
1-(
methyl thio)-2-butanone
FL
2-
methyl thiophene
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
tyramine
FL
 
Potential Uses:
FLbeef
FLbutter
FLcheese
FLfish
FLgarlic
FLliver
FLmushroom
FLnut
FLonion
FLpork
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butane-1,3-dithiol
1,3-butanedithiol
1,3-dimercaptobutane
 garlic dithiol
 
 
Notes:
Used as a food additive [EAFUS]
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