EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

dibutyl sulfide
1,1'-thiobisbutane

Sponsors

Name:1-butylsulfanylbutane
CAS Number: 544-40-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-870-5
FDA UNII:3E3H471GA3
Nikkaji Web:J6.416E
Beilstein Number:1732829
MDL:MFCD00009468
CoE Number:484
XlogP3-AA:3.40 (est)
Molecular Weight:146.29646000
Formula:C8 H18 S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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
FLAVIS Number:12.007 (Old)
DG SANTE Food Flavourings:12.007 dibutyl sulfide
FEMA Number:2215 dibutyl sulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BUTYL SULFIDE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83900 to 0.84100 @ 20.00 °C.
Pounds per Gallon - (est).: 6.989 to 7.006
Refractive Index:1.45100 to 1.45400 @ 20.00 °C.
Melting Point: -76.00 °C. @ 760.00 mm Hg
Boiling Point: 182.00 to 189.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.200000 mm/Hg @ 25.00 °C.
Vapor Density:5.07 ( Air = 1 )
Flash Point: 165.00 °F. TCC ( 73.89 °C. )
logP (o/w): 4.034 (est)
Soluble in:
 alcohol
 ethyl ether
 water, 39.35 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Substantivity:20 hour(s) at 100.00 %
green grassy violet leaf herbal rose geranium
Odor Description:at 0.10 % in dipropylene glycol. green grassy violet-leaf herbal rose geranium
Luebke, William tgsc, (1989)
Odor sample from: International Flavors & Fragrances Inc.
onion garlic horseradish rubbery savory vegetable
Odor Description:at 1.00 %. Onion garlic, horseradish, rubbery, savory and vegetative
Mosciano, Gerard P&F 24, No. 2, 49, (1999)
Flavor Type: green
green vegetable onion garlic horseradish savory
Taste Description: at 5.00 ppm. Green, vegetative, onion garlic, horseradish, savory
Mosciano, Gerard P&F 24, No. 2, 49, (1999)
Odor and/or flavor descriptions from others (if found).
Frutarom
BUTYL SULPHIDE (DIBUTYL SULPHIDE)
Odor Description:Alliaceous, Green, Violet.
Suggested Uses: Fish, Mushroom, Savoury, Vegetables
Treatt
Dibutyl Sulphide Halal, Kosher
Odor Description:floral/violet, green leaf, herbaceous, onion/garlic
Taste Description:green
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.
Ernesto Ventós
BUTYL SULPHIDE
Odor Description:ALLIACEOUS,GREEN,VIOLET,HERBACEOUS
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Augustus Oils
Dibutyl Sulphide
Services
Beijing Lys Chemicals
Dibutyl sulfide
Berjé
Dibutyl Sulfide
Happening at Berje
BOC Sciences
For experimental / research use only.
Butyl Sulfide 98%
Charkit Chemical
BUTYL SULPHIDE FEMA 2215
DeLong Chemicals America
Dibutyl sulfide, Kosher
EMD Millipore
For experimental / research use only.
Dibutyl Sulfide
Endeavour Specialty Chemicals
n-Butyl sulphide 99% F&F
Speciality Chemical Product Groups
Ernesto Ventós
BUTYL SULPHIDE
Odor: ALLIACEOUS,GREEN,VIOLET,HERBACEOUS
Frutarom
BUTYL SULPHIDE (DIBUTYL SULPHIDE)
Odor: Alliaceous, Green, Violet.
Use: Suggested Uses: Fish, Mushroom, Savoury, Vegetables
Jiangyin Healthway
Dibutyl sulphide
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
Dibutyl sulfide, Kosherk
M&U International
DIBUTYL SULFIDE, Kosher
Penta International
DIBUTYL SULFIDE, Kosher
Robinson Brothers
n-Butyl sulphide F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Dibutyl sulfide
Sigma-Aldrich
Butyl sulfide, ≥95%, FG
Odor: green; herbaceous; alliaceous (onion, garlic).
Certified Food Grade Products
Sunaux International
Dibutyl Sulfide
Synerzine
Dibutyl Sulfide
Taytonn
Butyl Sulphide
Odor: Floral, Alliaceous, Green
TCI AMERICA
For experimental / research use only.
Butyl Sulfide >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Dibutyl Sulfide
Tengzhou Xiang Yuan Aroma Chemicals
Dibutyl Sulfide
Treatt
Dibutyl Sulphide 1% in TEC
Kosher
Treatt
Dibutyl Sulphide
Halal, Kosher
Odor: floral/violet, green leaf, herbaceous, onion/garlic
Flavor: green
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.
 
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
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
 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
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity: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
 
References:
 1-butylsulfanylbutane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:544-40-1
Pubchem (cid):11002
Pubchem (sid):134976864
 
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 Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
alliaceous
dipropyl disulfide
FL/FR
methyl furfuryl disulfide
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
chocolate
2,4,5-
trimethyl thiazole
FL/FR
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
methyl heptenone
FL/FR
coumarinic
phthalide
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
mimosa absolute morocco
FL/FR
(Z)-
rose oxide
FL/FR
fruity
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
methyl-2-pentenal
FL/FR
prenyl ethyl ether
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
alfalfa absolute
FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
bark carbaldehyde
FR
butyl 2-methyl butyrate
FL/FR
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
cortex pyridine
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
galbanum decatriene
FL/FR
green specialty
FR
(Z)-3-
hepten-1-ol
FL/FR
3-
hepten-2-one
FL/FR
heptyl heptanoate
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
(Z)-
leaf acetal
FL/FR
lilac acetaldehyde
FL/FR
methyl heptine carbonate
FL/FR
nerol oxide
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
oakmoss resin
FR
1-
penten-3-ol
FL/FR
propylene acetal
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
3-
butylidene phthalide
FL/FR
clary sage resin america
FR
geranium concrete
FL/FR
geranyl octanoate
FL/FR
oregano specialty
FR
minty
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
musty
cocoa butenal
FL/FR
spicy
ethyl vinyl ketone
FL/FR
gingergrass oil
FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
3-(
methyl thio) hexanol
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
woody
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
butyl 2-methyl butyrate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
2-
ethyl pyridine
FL
3-(2-
furyl) acrolein
FL
geranyl octanoate
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
2-
heptenoic acid
FL
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
3-(
methyl thio) hexanal
FL
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
propylene acetal
FL/FR
alliaceous
alliaceous
allyl disulfide
FL
allyl thiopropionate
FL
cyclopentyl mercaptan
FL
dipropyl disulfide
FL/FR
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
celery
3-
butylidene phthalide
FL/FR
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
coumarinic
phthalide
FL/FR
creamy
3-
hepten-2-one
FL/FR
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
mimosa absolute morocco
FL/FR
fruity
butyl heptanoate
FL/FR
2,4-
hexadien-1-ol
FL
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
2-
methyl-2-pentenal
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
cocoa butenal
FL/FR
cortex pyridine
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum decatriene
FL/FR
heptyl heptanoate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
2-
hexyl pyridine
FL
horseradish oil
FL
(Z)-
leaf acetal
FL/FR
methyl heptenone
FL/FR
methyl heptine carbonate
FL/FR
4-
methyl thiazole
FL
nerol oxide
FL/FR
4-
penten-1-yl acetate
FL
1-
penten-3-ol
FL/FR
(Z)-
rose oxide
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
geranium concrete
FL/FR
meaty
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
minty
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
2,4,5-
trimethyl thiazole
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
vegetable
1-
furfuryl pyrrole
FL/FR
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
waxy
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
 
Potential Uses:
FLbakery
FLbeverage
FLcabbage
 confection
FLdairy
FLfish
FRfloral
 fruit tropical fruit
FRgreen
FRherbal
FRrose
FRrose geranium
FLvegetable
FRviolet leaf
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 cabbage raw cabbage
Search Trop Picture
 mushroom
Search PMC Picture
 
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
 
 
Notes:
Floral top notes. Present in raw cabbage, boiled and cooked beef, and some varieties of mushroom. Flavouring ingredient
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