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ethyl propyl trisulfide
3,4,5-trithiaoctane

Supplier Sponsors

Name:1-(ethyltrisulfanyl)propane
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
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
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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
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,4,5-TRITHIAOCTANE
Taytonn ASCC
Ethyl Propyl Trisulphide
Odor: Alliaceous, Garlic, Green, Onion
 
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
 
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 (05.3): --
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
 
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,ß-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
 
References:
 1-(ethyltrisulfanyl)propane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):53425122
Pubchem (sid):135332611
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
garlic oil china
FL/FR
methyl furfuryl disulfide
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
methyl mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
4-
tropical oxathiane
FL/FR
tropical
trans-
galbanum oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
diethyl trisulfide
FL
dimethyl tetrasulfide
FL
dipropyl sulfide
FL
ethyl isothiocyanate
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
furfuryl propyl disulfide
FL
trans-
galbanum oxathiane
FL/FR
bis(1-
mercaptopropyl) sulfide
FL
methyl butyl sulfide
FL
S-
methyl thiopropionate
FL
iso
propyl disulfide
FL
thiophene
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
garlic oil china
FL/FR
leek oil
FL
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
shallot oil
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
coffee
methyl furfuryl disulfide
FL/FR
eggy
iso
propyl mercaptan
FL
fruity
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
(R,S)-2-
mercapto-3-butanol
FL
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
phenyl mercaptan
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
2-
methyl-1,3-dithiolane
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 4-(methyl thio) butyrate
FL
methyl mercaptan
FL/FR
2-
methyl thiophene
FL
onion oil
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FLgarlic
FLonion
FLsavory
FLvegetable
 
Occurrence (nature, food, other):note
 durian fruit
Search Trop Picture
 
Synonyms:
 ethyl propyl trisulphide
1-(ethyltrisulfanyl)propane
 propyl ethyl trisulfide
 trisulfide, ethyl propyl
3,4,5-trithiaoctane
 
 
Notes:
Used as a food additive [EAFUS]
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