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

methyl isopentyl disulfide
isopentyl methyl disulfide

Supplier Sponsors

Name:3-methyl-1-methyldisulfanylbutane
CAS Number: 72437-56-0Picture of molecule3D/inchi
FDA UNII:0XDI7Q3QL3
Nikkaji Web:J543.236G
XlogP3-AA:2.60 (est)
Molecular Weight:150.30758000
Formula:C6 H14 S2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:2-butenoic acid 3.00% to 5.00%
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:1696 methyl isopentyl disulfide
FLAVIS Number:12.294 (Old)
DG SANTE Food Flavourings:12.294 isopentyl methyl disulfide
FEMA Number:4168 methyl isopentyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):72437-56-0 ; METHYL ISOPENTYL DISULFIDE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99500 to 1.00100 @ 25.00 °C.
Pounds per Gallon - (est).: 8.279 to 8.329
Refractive Index:1.51600 to 1.52200 @ 20.00 °C.
Boiling Point: 184.00 to 200.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.002000 mmHg @ 25.00 °C. (est)
Flash Point: 134.00 °F. TCC ( 56.67 °C. )
logP (o/w): 4.032 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 46.15 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl methyl disulfide
amyl methyl disulfide
benzyl methyl disulfide
diphenyl methyl disulfide
ethyl methyl disulfide
methyl phenyl methyl disulfide
2-methyl-3-furyl methyl disulfide
2-methyl-3-furyl methyl thiomethyl disulfide
phenyl methyl disulfide
1-propenyl methyl disulfide
propyl methyl disulfide
 
Organoleptic Properties:
Flavor Type: roasted
sulfurous roasted
Taste Description: sulfurous roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
methyl isopentyl disulfide
WholeChem
Methyl isopentyl disulfide
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 methyl isopentyl disulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 300 (μg/person/day)
NOEL (No Observed Effect Level): 7.3 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/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: 22
 average usual ppmaverage maximum ppm
baked goods: 0.250000.50000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.250000.50000
fruit ices: --
gelatins / puddings: 0.250000.50000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000001.50000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 0.250000.50000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.250000.50000
Meat and meat products, including poultry and game (08.0): 1.000001.50000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.250000.50000
 
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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :534377
National Institute of Allergy and Infectious Diseases:Data
3-methyl-1-methyldisulfanylbutane
Chemidplus:0072437560
 
References:
 3-methyl-1-methyldisulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):534377
Pubchem (sid):135328110
 
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
HMDB (The Human Metabolome Database):HMDB32408
FooDB:FDB009843
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
caramellic
caramellic
fenugreek oleoresin
FL/FR
chocolate
chocolate pyrazine A
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
corn chip
popcorn pyrimidine
FL/FR
earthy
nutty pyrazine
FL/FR
floral
magnolia indene
FR
green
2-
heptyl furan
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
nutty quinoxaline
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
popcorn
2-
acetyl thiazole
FL/FR
roasted
fenugreek resinoid
FL/FR
2-
methyl-1-butanol
FL/FR
sulfurous
ethyl 3-mercaptobutyrate
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
woody
2-
methoxy-4-vinyl phenol
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
1,2-
butane dithiol
FL
2-
butenoic acid
FL
2-iso
butyl-4,5-dimethyl oxazole
FL
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
chocolate pyrazine A
FL/FR
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl 3-mercaptobutyrate
FL/FR
3-(
ethyl thio) butanol
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
3-
mercapto-3-methyl butyl formate
FL
methyl 2-(methyl thio) acetate
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
1-
phenyl-3(5)-propyl pyrazole
FL
3-iso
propenyl pentane dioic acid
FL
2-
propionyl pyrrole
FL
propionyl pyrroline 1% in vegatable oil triglyceride
FL
propyl propane thiosulfonate
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
4-
pentenal
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
alliaceous
alliaceous
allyl mercaptan
FL
3-
mercapto-2-pentanone
FL
bitter
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
caramellic
fenugreek resinoid
FL/FR
coffee
coffee difuran
FL/FR
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
2-
thiophene thiol
FL
corn chip
2-
acetyl thiazole
FL/FR
popcorn pyrimidine
FL/FR
creamy
2,5-
dimethyl-3-thioisovaleryl furan
FL
fatty
4,5-
dimethyl-2-propyl oxazole
FL
2-
heptyl furan
FL/FR
fishy
4,5-
dimethyl thiazole
FL
green
2,5-
dimethyl-4-ethyl oxazole
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
propyl 2-mercaptopropionate
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
mustard
furfuryl methyl ether
FL
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl furan
FL/FR
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
butyl-2-butenal
FL
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
filbert heptenone
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty pyrazine
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
gluconyl ethanolamine
FL
gluconyl ethanolamine phosphate
FL
hexyl mercaptan
FL
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
smoky
2-
methoxy-4-vinyl phenol
FL/FR
sulfurous
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
roasted butanol
FL
2-
thienyl mercaptan
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLbeef roasted beef
FLchicory root
FLchocolate cacao
FLmeat roasted meat
FLnut roasted nut
FLroasted
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 disulfide, isopentyl methyl
 disulfide, methyl 3-methylbutyl
 methyl 3-methyl butyl disulfide
 methyl 3-methylbutyl disulfide
 methyl isopentyl disulphide
3-methyl-1-(methyldisulfanyl)butane
3-methyl-1-methyldisulfanylbutane
 methylisopentyldisulfide
isopentyl methyl disulfide
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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