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dibutyl sulfide

Chemical Structure

General Material Information

Preferred name dibutyl sulfide
Trivial Name Dibutyl sulfide
Short Description 1,1'-thiobisbutane
Formula C8 H18 S
CAS Number 544-40-1
FEMA Number 2215
Flavis Number 12.007
ECHA Number 208-870-5
FDA UNII 3E3H471GA3
Nikkaji Number J6.416E
Beilstein Number 1732829
MDL MFCD00009468
COE Number 484
xLogP3-AA 3.40 (est)
Bio Activity Summary External link
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 544-40-1 ; BUTYL SULFIDE
Synonyms
  • butane, 1,1'-thiobis-
  • butyl monosulfide
  • butyl sulphide (dibutyl sulphide)
  • butyl thiobutane
  • 1-( butylsulfanyl)butane
  • 1-butylsulfanylbutane
  • 1-( butylthio)butane
  • butylthiobutane
  • di-N-butyl sulfide
  • di-N-butylsulfide
  • N- dibutyl sulfide
  • dibutyl sulphide
  • dibutyl thioether
  • 5-thianonane
  • 1,1'- thiobis(butane)
  • 1,1'- thiobisbutane
  • 1,1'- thiodibutane
  • thiononane-5
  • 1-butylsulfanylbutane
  • Butane, 1,1′-thiobis-
  • Butyl sulfide
  • 1,1′-Thiobis[butane]
  • n-Butyl sulfide
  • 5-Thianonane
  • n-Dibutyl sulfide
  • Di-n-butyl thioether
  • NSC 8460
  • Dibutylsulfane

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31660
FooDB:FDB008320
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Butyl sulfide

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 146.2964630127
Specific gravity @ 20 °C
Pounds per Gallon 6.989 to 7.006
Refractive Index 1.451 to 1.454 @ 20 °C
Boiling Point 182 to 189°C @ 760 mm Hg
Vapor Pressure 1.2 mmHg @ 25 °C
Vapor Density 5.07
Flash Point TCC Value 73.89 °C TCC
logP (o/w) 4.034 est
Solubility
alcohol Yes
ethyl ether Yes
water, 39.35 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
green, grassy, violet leaf, herbal, rose, geranium, onion, garlic, horseradish, rubbery, savory, vegetable
Odor strength high , recommend smelling in a 0.10 % solution or less
Substantivity 20 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 0.10 % in dipropylene glycol. green grassy violet-leaf herbal rose geranium
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 1.00 %. Onion garlic, horseradish, rubbery, savory and vegetative
Flavor Type: Green
green, vegetable, onion, garlic, horseradish, savory
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 5.00 ppm. Green, vegetative, onion garlic, horseradish, savory
Used in flavours for soft confection and bakery at 0.6ppm, and for desserts, beverages, and frozen dairy at 0.4ppm. Also used in fragrances as a natural green note in geranium and violet bases. Green

Occurrences

Potential Uses

Applications
Odor purposes Floral, Green, Herbal, Rose, Rose geranium, Violet leaf
Flavoring purposes Bakery, Beverage, Cabbage, Dairy, Fish, Fruit tropical fruit, Vegetable
Other purposes Confection
Cosmetic purposes Perfuming agents

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 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 37/39 - Wear suitable 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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 2220 mg/kg
(Moreno, 1975g)

oral-rat LD50 2220 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 769, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 765, 1979.

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
Recommendation for dibutyl sulfide usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.30 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 0.030001.00000
beverages(nonalcoholic): 0.020001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010001.00000
fruit ices: 0.010001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.030001.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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):544-40-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11002
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-butylsulfanylbutane
Chemidplus:0000544401
RTECS:ER6417000 for cas# 544-40-1