cocoa propanal
2-methyl-2-(methyldithio)propanal
 
Notes:
Meat-like flavouring for seasonings etc.
  • BOC Sciences
    • BOC Sciences
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      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      67952-60-7 2-(Methyldithio)-isobutyraldehyde
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      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):
      13-55350 2-METHYL-2-(METHYLDITHIO)PROPANAL
       
  • Vigon International
    • Vigon International
      Passion for Simplicity
      Manufacturer and supplier of high quality flavor and fragrance ingredients.
      The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities.
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      Product(s):
      502098 Methyl Dithio-2-Isobutyraldehyde
       
Synonyms   Articles   Notes   Search
CAS Number: 67952-60-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 267-914-1
FDA UNII: 3D5G4AZ6L5
Nikkaji Web: J317.289I
XlogP3-AA: 1.00 (est)
Molecular Weight: 150.26390000
Formula: C5 H10 O S2
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 580  2-methyl-2-(methyldithio)propanal
DG SANTE Food Flavourings: 12.168  2-methyl-2-(methyldithio)propanal
FEMA Number: 3866 2-methyl-2-(methyldithio)propanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):67952-60-7 ; 2-METHYL-2-(METHYLDITHIO)PROPANAL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 80.00 to  83.00 °C. @ 760.00 mm Hg
Boiling Point: 46.00 °C. @ 1.00 mm Hg
Boiling Point: 184.00 to  185.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.744000 mmHg @ 25.00 °C. (est)
Flash Point: 162.00 °F. TCC ( 72.22 °C. )
logP (o/w): 2.234 (est)
Soluble in:
 alcohol
 oils
 water, very slightly
 water, 2443 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: chocolate
 
 aromatic  cocoa  chocolate dark chocolate  chocolate  tobacco  
Odor Description:
at 0.10 % in propylene glycol. 
aromatic cocoa dark chocolate
 
 
Flavor Type: chocolate
 
 cocoa  chocolate dark chocolate  chocolate  
Taste Description:
cocoa dark chocolate
 
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.
2-(Methyldithio)-isobutyraldehyde
Penta International
2-METHYL-2-(METHYLDITHIO)PROPANAL
Vigon International
Methyl Dithio-2-Isobutyraldehyde
Odor: This chemical is characteristic of dark chocolate
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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 cocoa propanal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 0.100001.00000
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.100000.20000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100000.50000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100001.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.500005.00000
reconstituted vegetables: --
seasonings / flavors: 500.00000500.00000
snack foods: --
soft candy: 0.100000.50000
soups: 0.500005.00000
sugar substitutes: --
sweet sauces: --
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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 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
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 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): 67952-60-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 106217
National Institute of Allergy and Infectious Diseases: Data
 2-methyl-2-methyldisulfanylpropanal
Chemidplus: 0067952607
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References:
 2-methyl-2-methyldisulfanylpropanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 106217
Pubchem (sid): 135063517
Flavornet: 67952-60-7
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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): HMDB38889
FooDB: FDB018351
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: 2-Methyl-2-(methyldithio)propanal
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
isovaleraldehydeFL/FR
anisic
 methyl para-anisateFL/FR
balsamic
2-acetyl furanFL/FR
isoamyl cinnamateFL/FR
 amyl cinnamateFL/FR
 amyl phenyl acetateFL/FR
 butyl cinnamateFL/FR
 prenyl benzoateFL/FR
caramellic
 fenugreek oleoresinFL/FR
isopropenyl pyrazineFL/FR
chocolate
isoamyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
 chocolate pyrazine AFL/FR
 chocolate tinctureFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL/FR
 cocoa pentenalFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2-methoxypyrazineFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
2,4,5-trimethyl thiazoleFL/FR
 vanillyl ethyl etherFL/FR
cocoa
2-isobutyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR
 cocoa absoluteFL/FR
 cocoa resinoidFL/FR
2-methyl butyraldehydeFL/FR
coffee
 coffee absoluteFL/FR
earthy
 bean pyrazineFL/FR
ethereal
isopropyl formateFL/FR
fermented
3-methyl-1-pentanolFL/FR
 valeraldehydeFL/FR
floral
alpha-amyl cinnamyl acetateFL/FR
 amyl salicylateFL/FR
 ethyl phenyl acetateFL/FR
fruity
 butyl 2-methyl butyrateFL/FR
 phenyl acetaldehydeFL/FR
gamma-valerolactoneFL/FR
honey
 butyl phenyl acetateFL/FR
 phenyl acetic acidFL/FR
musty
 cocoa butenalFL/FR
 hazelnut pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
3,6-cocoa pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
(-)-(E,R)-filbertoneFL/FR
2,6-lutidineFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-acetyl pyrazineFL/FR
roasted
 fenugreek resinoidFL/FR
 cocoa essenceFL/FR
sweet
 vanilla oleoresin baliFL/FR
vanilla
 ethyl vanillin isobutyrateFL/FR
 vanillinFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl isobutyrateFL/FR
vegetable
 mesityl oxideFL/FR
waxy
 phenethyl octanoateFL/FR
woody
 cinnamyl tiglateFL/FR
 
For Flavor
 
No flavor group found for these
 amyl phenyl acetateFL/FR
 bean pyrazineFL/FR
 butyl cinnamateFL/FR
2-isobutyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 chocolate pyrazine AFL/FR
 cinnamyl tiglateFL/FR
4,5-dimethyl-2-ethyl thiazoleFL
chocolate fudge caramel flavorFL
3(2)-hydroxy-5-methyl-2(3)-hexanoneFL
2-hydroxy-5-methyl-3-hexanoneFL
2-methoxypyrazineFL/FR
 methyl para-anisateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 peanut dithiazineFL
 prenyl benzoateFL/FR
2-isopropyl-4-methyl-3-thiazolineFL
 pyrazines mixtureFL
 tetrahydrofurfuryl phenyl acetateFL/FR
 paullinia cupana seed tinctureFL
aromatic
 amyl salicylateFL/FR
balsamic
 amyl cinnamateFL/FR
bitter
 cocoa pyrazines base (mixture of pyrazines)FL
 methyl ethoxypyrazineFL
 paullinia cupana seed extractFL
brown
 fenugreek oleoresinFL/FR
burnt
isopropenyl pyrazineFL/FR
cabbage
 methyl 2-thiofuroateFL
caramellic
 caramel fudge flavorFL
 fenugreek resinoidFL/FR
chocolate
 cherry chocolate fudge flavorFL
 chocolateFL
 chocolate almond fudge flavorFL
 chocolate banana nut flavorFL
 chocolate butter cream flavorFL
 chocolate caramel nut flavorFL
 chocolate chipsFL
 chocolate coatingFL
 chocolate cookies & cream flavorFL
 chocolate distillatesFL
 chocolate essenceFL
 chocolate europa flavorFL
 chocolate extractFL
dark chocolate flavorFL
bittersweet chocolate flavorFL
bavarian chocolate flavorFL
mexican chocolate flavorFL
hot chocolate flavorFL
swiss chocolate flavorFL
german chocolate flavorFL
dutch chocolate flavorFL
 chocolate flavorFL
semi sweet chocolate flavorFL
bitter chocolate flavorFL
milk chocolate flavorFL
abuelita chocolate flavorFL
 chocolate macadamia nut flavorFL
 chocolate marble flavorFL
 chocolate mousse flavorFL
 chocolate nibsFL
 chocolate raspberry creme flavorFL
 chocolate tinctureFL/FR
 chocolate toffee almond flavorFL
 cocoa essenceFL/FR
 cocoa oleoresinFL/FR
 cocoa powder distillatesFL
chocolate chip cookie flavorFL
 creme de cocoa flavorFL
 mocha almond fudge flavorFL
 mocha cream flavorFL
cocoa
isobutyl phenyl acetateFL/FR
 butyraldehydeFL
 chocolate enhancersFL
 cocoaFL
 cocoa absoluteFL/FR
 cocoa bean powderFL
 cocoa distillatesFL
 cocoa flavorFL
 cocoa hexenalFL/FR
 cocoa liquorFL
 cocoa liquor distillatesFL
 cocoa nib distillatesFL
 cocoa resinoidFL/FR
2-methyl furanFL
 theobroma cacao nib extractFL
coffee
 coffee absoluteFL/FR
cookie
chocolate cookie flavorFL
earthy
alpha-amyl cinnamyl acetateFL/FR
 tamarind distillatesFL
fatty
 cocoa butter distillatesFL
floral
isoamyl cinnamateFL/FR
isoamyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
 phenyl acetic acidFL/FR
fruity
 butyl 2-methyl butyrateFL/FR
 phenethyl octanoateFL/FR
isopropyl formateFL/FR
isovaleraldehydeFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
 cocoa butenalFL/FR
2-ethyl butyraldehydeFL
honey
 butyl phenyl acetateFL/FR
 ethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
meaty
2,6-dimethyl pyrazineFL/FR
3-mercapto-2-butanoneFL
musty
2,5-dimethyl pyrazineFL/FR
 hazelnut pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
2-acetyl furanFL/FR
3,6-cocoa pyrazineFL/FR
3,5(6)-cocoa pyrazineFL
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2,4-dimethyl-5-vinyl thiazoleFL
(-)-(E,R)-filbertoneFL/FR
2,6-lutidineFL/FR
2-methyl pyrazineFL/FR
chocolate peanut butter flavorFL
2,3,5,6-tetramethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
 vinyl sulfurolFL/FR
phenolic
 propyl 2-furoateFL
potato
 mesityl oxideFL/FR
roasted
2-acetyl pyrazineFL/FR
rummy
 vanillyl ethyl etherFL/FR
spicy
 chocolate cinnamon hazelnut flavorFL
sulfurous
O-ethyl S-1-methoxyhexan-3-yl carbonothioateFL
sweet
 vanilla oleoresin baliFL/FR
tonka
gamma-valerolactoneFL/FR
vanilla
 ethyl vanillin isobutyrateFL/FR
 vanillinFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl isobutyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 valeraldehydeFL/FR
 
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Potential Uses:
 chocolate cocoaFL
 hay new mown hayFR
 tobaccoFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 found in nature
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Synonyms:
2-(methydithio) isobutylraldehyde
 methyl dithio-2-isobutyraldehyde
2-(methyl dithio) isobutyraldehyde
alpha-(methyl dithio) isobutyraldehyde
2-methyl-2-(methyl dithio) propanal
2-methyl-2-(methyl dithio) propionaldehyde
2-methyl-2-(methyldisulfanyl)propanal
2-methyl-2-(methyldithio)propanal
2-methyl-2-(methyldithio)propanal natural dilution
2-methyl-2-(methyldithio)propionaldehyde
2-methyl-2-methyldisulfanylpropanal
2-(methyldithio)isobutyraldehyde
alpha-(methyldithio)isobutyraldehyde
 methylmethyldithiopropanal
 propanal, 2-methyl-2-(methyldithio)-
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