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1,1-propane dithiol
1,1-propanedithiol

Supplier Sponsors

Name:propane-1,1-dithiol
CAS Number: 88497-17-0Picture of molecule3D/inchi
Nikkaji Web:J1.405.824I
XlogP3-AA:1.90 (est)
Molecular Weight:108.22676000
Formula:C3 H8 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:2087 1,1-propanedithiol
FLAVIS Number:12.300 (Old)
DG SANTE Food Flavourings:12.300 1,1-propanedithiol
FEMA Number:4670 1,1-propanedithiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):88497-17-0 ; 1,1-PROPANEDITHIOL
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01500 @ 25.00 °C.
Refractive Index:1.50700 @ 20.00 °C.
Boiling Point: 137.00 to 138.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:8.643000 mmHg @ 25.00 °C. (est)
Flash Point: 104.00 °F. TCC ( 40.10 °C. ) (est)
logP (o/w): 2.249 (est)
Soluble in:
 alcohol
 water, 4484 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
sulfurous onion cooked onion onion savory
Odor Description:at 0.01 % in propylene glycol. sulfurous cooked onion savory
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
1,1-propane dithiol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 1,1-propane dithiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 7.5 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 25
 average usual ppmaverage maximum ppm
baked goods: 0.010000.05000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.010000.05000
cheese: 0.010000.05000
chewing gum: --
condiments / relishes: 0.010000.05000
confectionery froastings: --
egg products: --
fats / oils: 0.020000.08000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.010000.05000
hard candy: --
imitation dairy: 0.020000.08000
instant coffee / tea: --
jams / jellies: --
meat products: 0.020000.08000
milk products: 0.010000.05000
nut products: --
other grains: --
poultry: 0.020000.08000
processed fruits: --
processed vegetables: 0.010000.05000
reconstituted vegetables: --
seasonings / flavors: 0.080000.10000
snack foods: 0.020000.08000
soft candy: --
soups: 0.010000.05000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.040000.18000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.020000.08000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.010000.05000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.010000.05000
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.010000.05000
Bakery wares (07.0): 0.030000.13000
Meat and meat products, including poultry and game (08.0): 0.040000.16000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.10000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 0.010000.05000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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):

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

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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 :6428546
National Institute of Allergy and Infectious Diseases:Data
propane-1,1-dithiol
 
References:
 propane-1,1-dithiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6428546
Pubchem (sid):103306596
Pherobase:View
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
sulfurous
dimethyl sulfide
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
butyl ethyl disulfide
FL
4-
mercapto-3-methyl-2-butanol
FL
alliaceous
alliaceous
benzyl mercaptan
FL
dimethyl trisulfide
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
3-
mercapto-2-butanone
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methionol
FL
methyl propyl trisulfide
FL
sulfurous
allyl sulfide
FL
dimethyl sulfide
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,1-dimercaptopropane
 propane-1,1-dithiol
1,1-propanedithiol
 
 
Notes:
None found
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