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allyl propyl disulfide
1-(prop-2-enyldisulfanyl)propane

Supplier Sponsors

Name:1-(prop-2-enyldisulfanyl)propane
CAS Number: 2179-59-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-550-7
FDA UNII:0167D73R1T
Nikkaji Web:J34.822H
Beilstein Number:1744005
MDL:MFCD00040072
CoE Number:600
XlogP3-AA:2.40 (est)
Molecular Weight:148.29164000
Formula:C6 H12 S2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:allyl propyl sulfide 1.00% to 2.00%
 dipropyl sulfide 1.00% to 2.00%
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:1700 allyl propyl disulfide
FLAVIS Number:12.021 (Old)
DG SANTE Food Flavourings:12.021 allyl propyl disulfide
FEMA Number:4073 allyl propyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2179-59-1 ; ALLYL PROPYL DISULFIDE
 
Physical Properties:
Appearance:bright yellow clear oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99900 to 1.00500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.313 to 8.363
Refractive Index:1.49700 to 1.51700 @ 20.00 °C.
Boiling Point: 195.00 to 200.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.350000 mmHg @ 25.00 °C. (est)
Vapor Density:5.1 ( Air = 1 )
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 3.890 (est)
Soluble in:
 alcohol
 water, 53.29 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl propyl sulfide
allyl propyl trisulfide
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
alliaceous garlic onion green onion
Odor Description:at 0.10 % in propylene glycol. alliaceous garlic green onion
Odor and/or flavor descriptions from others (if found).
Taytonn
Allyl Propyl Disulphide
Odor Description:Alliaceous, Garlic, Green, Onion
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Allyl propyl disulfide
BOC Sciences
For experimental / research use only.
Allyl Propyl Disulfide 98%
DeLong Chemicals America
Allyl propyl disulfide
H. Interdonati, Inc.
Allyl propyl disulfide Kosher
Featured Products
Penta International
ALLYL PROPYL DISULFIDE, Kosher
R C Treatt & Co Ltd
Allyl propyl disulphide
Shijiazhuang Donglian Nankai Aroma Chemicals
Allyl Propyl Disulfide
Odor: Onion and garlic
Taytonn
Allyl Propyl Disulphide
Odor: Alliaceous, Garlic, Green, Onion
TCI AMERICA
For experimental / research use only.
Allyl Propyl Disulfide >88.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Allyl propyl disulphide
WholeChem
Allyl propyl disulfide
 
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 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
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for allyl propyl disulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (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:540 (μg/person/day)
Structure Class: II
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: 22
 average usual ppmaverage maximum ppm
baked goods: 0.200001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.100000.50000
cheese: 0.200001.00000
chewing gum: --
condiments / relishes: 0.100000.50000
confectionery froastings: 0.200001.00000
egg products: --
fats / oils: 0.100000.50000
fish products: 0.100000.20000
frozen dairy: 0.200001.00000
fruit ices: 0.200001.00000
gelatins / puddings: --
granulated sugar: --
gravies: 0.400002.00000
hard candy: --
imitation dairy: 0.200001.00000
instant coffee / tea: --
jams / jellies: --
meat products: 0.100000.20000
milk products: 0.200001.00000
nut products: --
other grains: 0.100000.50000
poultry: 0.100000.20000
processed fruits: 0.200001.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.100000.50000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: 0.100000.50000
 
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
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

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16591
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
1-(prop-2-enyldisulfanyl)propane
Chemidplus:0002179591
EPA/NOAA CAMEO:hazardous materials
RTECS:2179-59-1
 
References:
 1-(prop-2-enyldisulfanyl)propane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2179-59-1
Pubchem (cid):16591
Pubchem (sid):134981892
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33912
FooDB:FDB012110
Export Tariff Code:2930.90.9190
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
alliaceous
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
garlic oil china
FL/FR
garlic oil mexico
FL/FR
methyl furfuryl disulfide
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
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 sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
diethyl trisulfide
FL
diisopropyl sulfide
FL
diisopropyl trisulfide
FL
dimethyl tetrasulfide
FL
dipropyl sulfide
FL
ethyl isothiocyanate
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
trans-
galbanum oxathiane
FL/FR
3-
hydroxypyruvic acid
FL
mercaptoacetaldehyde
FL
bis(1-
mercaptopropyl) sulfide
FL
methyl butyl sulfide
FL
4-(
methyl thio) butanol
FL
S-(
methyl thio) hexanoate
FL
1-
propenyl propyl sulfide
FL
iso
propyl disulfide
FL
tetrahydrothiophene
FL
thiophene
FL
2,4,6-
trimethyl-1,3,5-trithiane
FL
alliaceous
alliaceous
allium porrum extract
FL
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
diethyl disulfide
FL
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
garlic oil china
FL/FR
garlic oil mexico
FL/FR
leek oil
FL
2-
methyl thioacetaldehyde
FL
onion oil extenders
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
fatty
dimethyl sulfoxide
FL
fruity
methionyl butyrate
FL
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
(R,S)-2-
mercapto-3-butanol
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
S-(
methyl thio) butyrate
FL/FR
onion
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
hexyl mercaptan
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
ethyl methyl sulfide
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
1-(
methyl thio)-2-butanone
FL
methyl thioacetate
FL
onion oil
FL/FR
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FLcabbage
FLfruit tropical fruit
FLgarlic
FLleek
FLonion
 
Occurrence (nature, food, other):note
 cabbage raw cabbage
Search Trop Picture
 chive
Search Trop Picture
 garlic bulb
Search Trop Picture
 garlic fruit juice
Search Trop Picture
 garlic oil
Search Trop Picture
 leek
Search Trop Picture
 onion bulb
Search Trop Picture
 onion oil
Search Trop Picture
 
Synonyms:
 allyl propyl disulphide
 allylpropyldisulfide
 APDS
 disulfide, 2-propen-1-yl propyl
 disulfide, 2-propenyl propyl
 disulfide, allyl propyl
4,5-dithia-1-octene
 prop-2-en-1-yl propyl disulfide
1-(prop-2-enyldisulfanyl)propane
2-propenyl propyl disulfide
2-propenyl propyl disulphide
 propyl allyl disulfide
3-(propyldisulfanyl)-1-propene
3-(propyldisulfanyl)prop-1-ene
3-(propyldithio)prop-1-ene
 
 
Notes:
onion extract with hypoglycemic activity isol from allium cepa linn.. Constit. of Allium spp. Flavourant in garlic and onions
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