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dipropyl disulfide

Chemical Structure

General Material Information

Preferred name dipropyl disulfide
Trivial Name Dipropyl disulfide
Short Description propyl disulfide
Formula C6 H14 S2
CAS Number 629-19-6
FEMA Number 3228
Flavis Number 12.014
ECHA Number 211-079-8
FDA UNII I7K169J70F
Nikkaji Number J43.517A
Beilstein Number 0969200
MDL MFCD00009378
COE Number 540
xLogP3-AA 2.70 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 566 propyl disulfide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 629-19-6 ; PROPYL DISULFIDE
Synonyms
  • di-N-propyl disulfide
  • dipropyl disulphide
  • dipropyldisulfide
  • 1,1'- disulfanediyldipropane
  • disulfide, dipropyl
  • 4,5-dithiaoctane
  • 1,1'- dithiodipropane
  • propyl disulfide
  • 1-propyl disulfide
  • N- propyl disulfide
  • propyl disulphide
  • 1-( propyl dithio) propane
  • propyl dithiopropane
  • 1-( propyldisulfanyl)propan
  • 1-propyldisulfanylpropane
  • propyldisulfide
  • propyldithiopropane
  • 1-propyldisulfanylpropane
  • 4,5-Dithiaoctane
  • n-Propyl disulfide
  • NSC 75122
  • 1-(Propyldisulfanyl)propane

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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08373
HMDB (The Human Metabolome Database):HMDB31472
FooDB:FDB008045
Export Tariff Code:2930.90.9999
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Propyl disulfide

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 150.30758666992
Specific gravity @ 20 °C
Pounds per Gallon 7.997 to 8.014
Refractive Index 1.496 to 1.499 @ 20 °C
Boiling Point 193 to 195°C @ 760 mm Hg
Vapor Pressure 0.735 mmHg @ 25 °C
Vapor Density 5.1
Flash Point TCC Value 63.89 °C TCC
logP (o/w) 4.188 est
Solubility
alcohol Yes
oils Yes
water, 39.94 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
sulfurous, earthy, burnt, onion green onion, alliaceous, fresh, scallion, metallic, tropical
General comment At 0.10 % in propylene glycol. sulfury earthy burnt green onion
Mosciano, Gerard P&F 20, No. 3, 63, (1995) Sulfureous, alliaceous, fresh, green onion, scallion and metallic with a slight tropical nuance
Flavor Type: Alliaceous
alliaceous, sulfurous, green, vegetable, asafetida
Mosciano, Gerard P&F 20, No. 3, 63, (1995) At 10.00 ppm. Alliaceous, sulfureous, green, vegetative and asafetida nuances
Used in combination with other sulphides, disulphides, and trisulphides in onion and garlic flavours at up to 3ppm in final product. Sulfurous
General comment GARLIC,SULFUREOUS,GREEN,VEGETATIVE

Occurrences

Potential Uses

Applications
Flavoring purposes Garlic, Onion, Scallion, Tropical, Vegetable

Safety Information

Safety information

Preferred SDS: View
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:
oral-rat LD50 [sex: M,F] 2000 mg/kg
Reference is dipropyl disulfide
(Elf Atochem, 1992)

gavage-rat LD50 [sex: M] 6000 mg/kg
Value does not represent a true LD50 value. Test conducted with a mixture of seven components. Mixture contained 1.9 % of diisopropyl disulphide.
(Rohm & Haas Co., 1980)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
NOEL (No Observed Effect Level): 7.3 (mg/kg bw per 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: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.30000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -10.00000
snack foods: --
soft candy: --
soups: -0.30000
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

Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):629-19-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12377
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-propyldisulfanylpropane
Chemidplus:0000629196
RTECS:JO1955000 for cas# 629-19-6