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

diisoamyl disulfide
3-methyl-1-(3-methylbutyldisulfanyl)butane

Supplier Sponsors

Name:3-methyl-1-(3-methylbutyldisulfanyl)butane
CAS Number: 2051-04-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-113-0
FDA UNII:7309LNT30N
Nikkaji Web:J95.560D
MDL:MFCD00026520
XlogP3-AA:4.30 (est)
Molecular Weight:206.41534000
Formula:C10 H22 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
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
JECFA Food Flavoring:1930 diisoamyl disulfide
FEMA Number:4575 diisoamyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2051-04-9 ; DIISOAMYL DISULFIDE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91200 to 0.92200 @ 20.00 °C.
Pounds per Gallon - (est).: 7.598 to 7.681
Refractive Index:1.48100 to 1.49100 @ 20.00 °C.
Boiling Point: 246.00 to 247.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.035000 mmHg @ 25.00 °C. (est)
Flash Point: 178.00 °F. TCC ( 81.11 °C. )
logP (o/w): 5.914 (est)
Soluble in:
 alcohol
 water, 0.6007 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:sweet onion
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Diisoamyl disulfide
BOC Sciences
For experimental / research use only.
Diisoamyl Disulfide
DeLong Chemicals America
Diisoamyl disulfide, Kosher
Penta International
DIISOAMYL DISULFIDE
Sigma-Aldrich
Diisoamyl disulfide ≥98%
Odor: sulfurous
Certified Food Grade Products
Sigma-Aldrich: Aldrich
For experimental / research use only.
Isopentyl disulfide
TCI AMERICA
For experimental / research use only.
Diisoamyl Disulfide >98.0%(GC)
WholeChem
Diisoamyl disulfide
 
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 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
Recommendation for diisoamyl disulfide usage levels up to:
 not for fragrance use.
 
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: 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.001000.01000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: 0.002000.02000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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: 0.050000.50000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :74915
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methyl-1-(3-methylbutyldisulfanyl)butane
Chemidplus:0002051049
 
References:
 3-methyl-1-(3-methylbutyldisulfanyl)butane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):74915
Pubchem (sid):135031720
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Diisoamyl disulfide
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
propyl mercaptan
FL/FR
coffee
coffee difuran
FL/FR
meaty
meaty dithiane
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
onion oil CO2 extract
FL/FR
onion oil dutch
FL/FR
onion oil egypt
FL/FR
onion oil mexico
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
diethyl trisulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl 3-(methyl thio)-(E)-2-propenoate
FL
2-
heptane thiol
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
3-
mercaptohexanal
FL
methyl butyl sulfide
FL
2-
methyl-1-butanol
FL/FR
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
prenyl mercaptan
FL
iso
propyl disulfide
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
dicyclohexyl disulfide
FL
diethyl disulfide
FL
leek oil
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
shallot oil
FL
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
eggy
iso
propyl mercaptan
FL
fruity
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
cis-
galbanum oxathiane
FL/FR
meaty
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methionol
FL
methyl propyl trisulfide
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
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
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl thiomethyl butyrate
FL
2-
methyl thiophene
FL
onion oil
FL/FR
onion oil CO2 extract
FL/FR
onion oil dutch
FL/FR
onion oil egypt
FL/FR
onion oil mexico
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
isoamyl disulfide
 diisopentyl disulfide
 diisopentyl disulphide
2,9-dimethyl-5,6-dithiadecane
 disulfide, bis(3-methylbutyl)
bis(3-methyl butyl) disulfide
3-methyl-1-(3-methyl-butyldisulfanyl)-butane
3-methyl-1-(3-methylbutyldisulfanyl)butane
3-methyl-1-[(3-methylbutyl)disulfanyl]butane
bis(3-methylbutyl) disulfide
bis(3-methylbutyl)disulfide
isopentyl disulfide
 

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