ethyl propyl trisulfide
3,4,5-trithiaoctane
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      31499-70-4 3,4,5-TRITHIAOCTANE
       
  • Taytonn ASCC
    • Taytonn ASCC Pte Ltd
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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      Product(s):
      Ethyl Propyl Trisulphide
       
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CAS Number: 31499-70-4Picture of molecule3D/inchi
% from: 48.00% to 50.00%
FDA UNII: 4SOS6O9G2X
XlogP3-AA: 2.60 (est)
Molecular Weight: 168.34564000
Formula: C5 H12 S3
NMR Predictor: Predict (works with chrome, Edge or firefox)
Also(can) Contains: diethyl trisulfide 20.00% to 30.00%
 dipropyl trisulfide 20.00% to 30.00%
EFSA/JECFA Comments: Minimum assay (98%). Secondary components diethyl trisulfide (20-30 %) and dipropyl trisulfide (20-30 %) (EFFA, 2006u; EFFA, 2010a). No longer supported by industry (DG SANCO, 2013)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Google Scholar: with word "volatile"Search
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Perfumer and Flavorist: Search
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US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1695  ethyl propyl trisulfide
DG SANTE Food Flavourings: 12.256  ethyl propyl trisulfide
FEMA Number: 4042 ethyl propyl trisulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):31499-70-4 ; ETHYL PROPYL TRISULFIDE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.07000 to 1.08700 @  20.00 °C.
Pounds per Gallon - (est).: 8.914 to  9.055
Specific Gravity: 1.07000 to 1.08700 @  25.00 °C.
Pounds per Gallon - est.: 8.903 to 9.045
Refractive Index: 1.54900 to 1.55900 @  20.00 °C.
Boiling Point: 234.00 to  237.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.064200 mmHg @ 25.00 °C. (est)
Flash Point: 203.00 °F. TCC ( 95.00 °C. )
logP (o/w): 4.520 (est)
Soluble in:
 alcohol
 water, 86.84 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
 alliaceous  garlic  onion green onion  onion  
Odor Description:
at 0.10 % in propylene glycol. 
alliaceous garlic green onion
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
3,4,5-TRITHIAOCTANE
Taytonn ASCC
Ethyl Propyl Trisulphide
Odor: Alliaceous, Garlic, Green, Onion
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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 ethyl propyl trisulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: 0.050000.10000
beverages(nonalcoholic): 0.020000.05000
beverages(alcoholic): 0.020000.05000
breakfast cereal: --
cheese: --
chewing gum: 0.100000.20000
condiments / relishes: 0.030000.06000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.030000.06000
fruit ices: 0.020000.05000
gelatins / puddings: --
granulated sugar: --
gravies: 0.030000.06000
hard candy: 0.040000.08000
imitation dairy: 0.020000.04000
instant coffee / tea: --
jams / jellies: --
meat products: 0.030000.06000
milk products: 0.020000.05000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.030000.06000
soft candy: 0.030000.06000
soups: 0.030000.06000
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): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
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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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
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 : 53425122
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-(ethyltrisulfanyl)propane
Chemidplus: 0031499704
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References:
 1-(ethyltrisulfanyl)propane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 53425122
Pubchem (sid): 135332611
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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): Search
FooDB: FDB009408
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 garlic oil chinaFL/FR
 methyl furfuryl disulfideFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
 methyl mercaptanFL/FR
3-(methyl thio) hexanolFL/FR
2-(methyl thio) phenolFL/FR
 onion oilFL/FR
4-tropical oxathianeFL/FR
tropical
trans-galbanum oxathianeFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 diethyl trisulfideFL
 dimethyl tetrasulfideFL
 dipropyl sulfideFL
 ethyl isothiocyanateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 furfuryl propyl disulfideFL
trans-galbanum oxathianeFL/FR
bis(1-mercaptopropyl) sulfideFL
 methyl butyl sulfideFL
S-methyl thiopropionateFL
isopropyl disulfideFL
 thiopheneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
 garlic oil chinaFL/FR
 leek oilFL
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl thioacetaldehydeFL
 shallot oilFL
3-tetrahydrothiophenoneFL
 truffle sulfideFL
coffee
 methyl furfuryl disulfideFL/FR
eggy
isopropyl mercaptanFL
fruity
4-tropical oxathianeFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
(R,S)-2-mercapto-3-butanolFL
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 phenyl mercaptanFL
ortho-thiocresolFL
metallic
3-(methyl thio) hexanolFL/FR
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
2-methyl-1,3-dithiolaneFL
 propyl thioacetateFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
seafood
1,4-dithianeFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 methyl 4-(methyl thio) butyrateFL
 methyl mercaptanFL/FR
2-methyl thiopheneFL
 onion oilFL/FR
 onion oleoresinFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 
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Potential Uses:
 garlicFL
 onionFL
 savoryFL
 vegetableFL
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Occurrence (nature, food, other): note
 durian fruit
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Synonyms:
 ethyl propyl trisulphide
1-(ethyltrisulfanyl)propane
 propyl ethyl trisulfide
 trisulfide, ethyl propyl
3,4,5-trithiaoctane
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