amyl methyl disulfide
1-methyldisulfanylpentane
 
Notes:
Constit. of chives (Allium schoenoprasum)
  • BOC Sciences
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      Product(s):
      72437-68-4 Methyl pentyl disulfide
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      01-32400 AMYL METHYL DISULFIDE
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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      Product(s):
      Methyl Pentyl disulphide NI, Kosher
       
Synonyms   Articles   Notes   Search
CAS Number: 72437-68-4Picture of molecule3D/inchi
FDA UNII: ES6A12WT0E
Nikkaji Web: J45.906B
XlogP3-AA: 2.70 (est)
Molecular Weight: 150.30758000
Formula: C6 H14 S2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Specifications (EFFA, 2006u). Minimum assay (97%) (EFFA, 2010a).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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JECFA Food Flavoring: 1697  amyl methyl disulfide
DG SANTE Food Flavourings: 12.253  amyl methyl disulfide
FEMA Number: 4025 amyl methyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):72437-68-4 ; AMYL METHYL DISULFIDE
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94300 to 0.95300 @  20.00 °C.
Pounds per Gallon - (est).: 7.856 to  7.939
Refractive Index: 1.48500 to 1.49500 @  20.00 °C.
Boiling Point: 198.00 to  202.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.735000 mmHg @ 25.00 °C. (est)
Flash Point: 154.00 °F. TCC ( 67.78 °C. )
logP (o/w): 4.188 (est)
Soluble in:
 alcohol
 water, 39.94 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl 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
isopentyl methyl disulfide
phenyl methyl disulfide
1-propenyl methyl disulfide
propyl methyl disulfide
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Description:
at 0.01 %. 
sulfurous onion
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Methyl pentyl disulfide
Carbosynth
For experimental / research use only.
Methyl pentyl disulphide
Penta International
AMYL METHYL DISULFIDE
R C Treatt & Co Ltd
Methyl Pentyl disulphide
NI, Kosher
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for amyl methyl 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): 78 (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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: 0.800001.50000
beverages(nonalcoholic): 0.400000.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.400000.80000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.300000.60000
fruit ices: 0.400000.80000
gelatins / puddings: --
granulated sugar: --
gravies: 0.400000.80000
hard candy: 0.800001.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.400000.80000
milk products: 0.400000.80000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.400000.80000
soft candy: 0.300000.60000
soups: 0.300000.60000
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): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
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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
Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 522459
National Institute of Allergy and Infectious Diseases: Data
 1-methyldisulfanylpentane
Chemidplus: 0072437684
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References:
 1-methyldisulfanylpentane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 522459
Pubchem (sid): 135303558
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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
HMDB (The Human Metabolome Database): HMDB31161
FooDB: FDB003176
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 propyl mercaptanFL/FR
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
creamy
2,3-butane diolFR
ethereal
2-methyl-1-butanolFL/FR
meaty
 meaty dithianeFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
3-(methyl thio) hexanolFL/FR
 onion oilFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 diethyl trisulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
 heptyl mercaptanFL
2-(methyl thio) methyl-2-butenalFL
 propenyl propyl disulfideFL
isopropyl disulfideFL
2,3,5-trithiahexaneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl thioacetaldehydeFL
 propyl mercaptanFL/FR
cabbage
 methyl 2-thiofuroateFL
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
corn chip
2-acetyl-2-thiazolineFL
eggy
isopropyl mercaptanFL
ethereal
2-methyl-1-butanolFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
 meaty dithianeFL/FR
(R,S)-2-mercapto-3-butanolFL
bis(2-methyl-3-furyl) disulfideFL
ortho-thiocresolFL
metallic
3-(methyl thio) hexanolFL/FR
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methionolFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
seafood
1,4-dithianeFL
sulfurous
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
3-mercapto-2-methyl pentanalFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl thiomethyl butyrateFL
 onion oilFL/FR
 onion oleoresinFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 
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Potential Uses:
 absintheFL
 asafoetidaFL/FR
 cappuccinoFL
 chicory rootFL
 chiveFL
 coffeeFL
 durianFL
 fenugreekFL/FR
 garlicFL
 jackfruitFL
 leekFL
 onionFL
 savoryFL
 scallionFL
 shallotFL
 wormwood oil replacerFR
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Occurrence (nature, food, other): note
 chive leaf oil
Search Trop  Picture
 chive oil
Search Trop  Picture
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Synonyms:
 amyl methyl disulphide
 disulfide, methyl pentyl
2,3-dithiaoctane
 methyl amyl disulfide
1-methyl disulfanyl pentane
 methyl N-pentyl disulphide
 methyl pentyl disulfide
 methyl pentyl disulphide
1-methyldisulfanyl-pentane
1-(methyldisulfanyl)pentane
1-methyldisulfanylpentane
 pentyl methyl disulfide
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