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propenyl propyl disulfide

Chemical Structure

General Material Information

Preferred name propenyl propyl disulfide
Trivial Name 1-Propenyl propyl disulfide
Short Description prop-1-enyl propyl disulfide
Formula C6 H12 S2
CAS Number 5905-46-4
FEMA Number 3227
Flavis Number 12.044
ECHA Number 227-604-9
FDA UNII 0368A7K9E5
Nikkaji Number J223.874H
COE Number 11699
xLogP3-AA 2.50 (est)
NMR Predictor External link
JECFA Food Flavoring 570 propenyl propyl disulfide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5905-46-4 ; PROPENYL PROPYL DISULFIDE
Synonyms
  • disulfide, 1-propen-1-yl propyl
  • disulfide, prop-1-enyl propyl
  • disulfide, propyl trans-prop-1-enyl
  • prop-1-en-1-yl propyl disulfide
  • prop-1-enyl propyl disulfide
  • prop-1-enyl propyl disulphide
  • 1-propenyl propyl disulfide
  • 1-propenyl-1-propyl disulphide
  • propyl propenyl disulfide
  • 1-( propyldisulfanyl)prop-1-ene
  • 1-propyldisulfanylprop-1-ene
  • 1-propyldisulfanylprop-1-ene
  • Disulfide, 1-propenyl propyl
  • Disulfide, propenyl propyl
  • 1-Propenyl propyl disulfide
  • Propyl 1-propenyl disulfide

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):HMDB41392
FooDB:FDB021327
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
FAO:Propenyl propyl disulfide

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.29164123535
Refractive Index 1.522 to 1.532 @ 20 °C
Boiling Point 78 to 80°C @ 13 mm Hg
Vapor Pressure 0.936 mmHg @ 25 °C
Flash Point TCC Value 64.44 °C TCC
logP (o/w) 3.182 est
Solubility
alcohol Yes
water, 53.29 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, onion cooked onion
General comment At 0.10 % in propylene glycol. sulfurous cooked onion

Occurrences

Potential Uses

Applications
Flavoring purposes Chive, Fruit tropical fruit, Onion

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 propenyl propyl disulfide 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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -2.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -2.00000
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 :5320722
National Institute of Allergy and Infectious Diseases:Data
1-propyldisulfanylprop-1-ene
Chemidplus:0005905464