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1,3-butane dithiol

Chemical Structure

General Material Information

Preferred name 1,3-butane dithiol
Trivial Name 1,3-Butanedithiol
Short Description 1,3-butanedithiol
Formula C4 H10 S2
CAS Number 24330-52-7
FEMA Number 3529
Flavis Number 12.073
ECHA Number 246-172-2
FDA UNII 85VJA9KBCH
Nikkaji Number J287.217J
MDL MFCD00209500
COE Number 11910
xLogP3-AA 1.60 (est)
NMR Predictor External link
JECFA Food Flavoring 538 1,3-butanedithiol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 24330-52-7 ; 1,3-BUTANEDITHIOL
Synonyms
  • butane-1,3-dithiol
  • 1,3-butanedithiol
  • 1,3-dimercaptobutane
  • garlic dithiol
  • 1,3-Butanedithiol
  • 1,3-Dimercaptobutane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB33552
FooDB:FDB011618
ChemSpider:View
FAO:1,3-Butanedithiol

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 122.25370025635
Specific gravity @ 20 °C
Pounds per Gallon
Refractive Index 1.526 to 1.536 @ 20 °C
Boiling Point 91 to 93°C @ 30 mm Hg
Vapor Pressure 1.147 mmHg @ 25 °C
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 2.083 est
Solubility
fats Yes
water, 1524 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
garlic, meaty, sulfurous, onion, spicy, roasted, nutty
General comment At 0.10 % in propylene glycol. garlic meaty sulfury onion spicy
Mosciano, Gerard P&F 24, No. 6, 10, (1999) At 0.01 % in ethyl alcohol. Garlic, meaty sulfurous, roasted garlic and onion, spicy, with nutty nuances
Flavor Type: Alliaceous
garlic, mushroom, bloody, metallic, roasted, burnt, rubbery, meaty
Mosciano, Gerard P&F 24, No. 6, 10, (1999) At 15.00 - 30.00 ppm. Garlic, mushroom, bloody metallic, roasted burnt rubber nuances, HVP and meaty, garlic

Potential Uses

Applications
Flavoring purposes Beef, Butter, Cheese, Fish, Garlic, Liver, Mushroom, Nut, Onion, Pork

Safety Information

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
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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