2-methyl thioacetaldehyde
2-methylthioacetaldehyde

Sponsors

Name: 2-methylsulfanylacetaldehyde
CAS Number: 23328-62-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 245-587-6
FDA UNII: F0NVN68DIT
Nikkaji Web: J228.930J
MDL: MFCD02824035
CoE Number: 11686
XlogP3-AA: 0.40 (est)
Molecular Weight: 90.14502000
Formula: C3 H6 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 465 2-methylthioacetaldehyde
Flavis Number: 12.040 (Old)
DG SANTE Food Flavourings: 12.040 2-methyl thioacetaldehyde
FEMA Number: 3206 2-methylthioacetaldehyde
FDA Mainterm: 2-METHYLTHIOACETALDEHYDE
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.04500 to 1.05500 25.00 °C.
Pounds per Gallon - (est).: 8.695 to 8.779
Refractive Index: 1.46600 @ 20.00 °C.
Boiling Point: 118.00 to 120.00 °C. @ 760.00 mm Hg
Vapor Pressure: 14.900000 mm/Hg @ 25.00 °C. (est)
Flash Point: 87.00 °F. TCC ( 30.56 °C. )
logP (o/w): 0.489 (est)
Soluble in:
 alcohol
 water, 1.454e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 sulfurous vegetable onion garlic mustard nutty potato
Odor Description:
at 0.10 % in propylene glycol.
sulfurous vegetable onion garlic mustard nutty potato
 sulfurous vegetable onion garlic mustard nutty potato
Odor Description:
Sulfureous, vegatative, onion, garlic, mustard and nutty with a potato nuance
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
Flavor Type: alliaceous
 alliaceous vegetable onion garlic potato bready
Taste Description:
at 25.00 ppm.
Alliaceous and vegetative with a good mouthfeel and onion and garlic-like with a potato and bready nuance
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methylthioacetaldehyde
Carbosynth
For experimental / research use only.
2-Methylthioacetaldehyde
DeLong Chemicals America
2-Methylthioacetaldehyde, Kosher
M&U International
2-METHYL THIOACETALDEHYDE, Kosher
Parchem
2-methyl thioacetaldehyde
Penta International
2-METHYLTHIOACETALDEHYDE, Kosher
Synerzine
2-Methyl Thioacetaldehyde
Tengzhou Jitian Aroma Chemiclal
2-Methylthio acetaldehyde
Treatt
2-Methylthioacetaldehyde
Odor: sulphurous, vegetative, onion, garlic, mustard and nutty with a potato nuance
Use: Odour threshold in water: 16 ppb.
Flavor: alliaceous and vegetative with a good mouth feel and onion and garlic-like with a potato and bready nuance
Useful in nut, radish, horseradish, potato, coffee, mustard, savoury and bread flavours.
 
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 2-methyl thioacetaldehyde 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: 4
 average usual ppmaverage maximum ppm
baked goods: -0.50000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: -0.50000
cheese: --
chewing gum: -0.50000
condiments / relishes: -0.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: -0.50000
granulated sugar: --
gravies: -0.50000
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.50000
milk products: -0.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.50000
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
EPI System: View
EPA Substance Registry Services (TSCA): 23328-62-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 10887828
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 2-methylsulfanylacetaldehyde
Chemidplus: 0023328623
 
References:
 2-methylsulfanylacetaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 23328-62-3
Pubchem (cid): 10887828
Pubchem (sid): 135263575
 
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
HMDB (The Human Metabolome Database): HMDB31718
FooDB: FDB008381
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: 2-Methylthioacetaldehyde
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
iso
butyl mercaptan
FL
diethyl trisulfide
FL
diisopropyl sulfide
FL
diisopropyl trisulfide
FL
dipropyl sulfide
FL
ethyl isothiocyanate
FL
3-
ethyl thiopropanol
FL
2-
heptane thiol
FL
heptyl mercaptan
FL
3-
mercapto-2-methyl pentanol
FL
methyl butyl sulfide
FL
methyl isothiocyanate
FL
3-
methyl mercaptopropyl amine
FL
4-(
methyl thio) butanol
FL
2-
methyl-5-methoxythiazole
FL
4-
pentenyl isothiocyanate
FL
2,3,5-
trithiahexane
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
iso
propyl isothiocyanate
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
horseradish oil
FL
malty
yeast thiazoline
FL
meaty
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
onion
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
potato butanone
FL
vegetable
radish isothiocyanate
FL
 
Potential Uses:
 breadFL
 coffeeFL
 horseradishFL
 mustardFL
 nutFL
 potatoFL
 radish 
 
Occurrence (nature, food, other): note
 bean
Search PMC Picture
 coffee
Search PMC Picture
 potato chip
Search PMC Picture
 tomato
Search Trop Picture
 
Synonyms:
 acetaldehyde, 2-(methylthio)-
(methyl mercapto) acetaldehyde
2-(methyl mercapto) acetaldehyde
 methyl mercaptoacetaldehyde
(methyl thio) acetaldehyde
2-(methyl thio) acetaldehyde
(methylmercapto)acetaldehyde
2-(methylmercapto)acetaldehyde
(methylsulfanyl)acetaldehyde
2-methylsulfanylacetaldehyde
(methylthio)acetaldehyde
2-(methylthio)acetaldehyde
2-methylthioacetaldehyde
 
 
Notes:
Flavouring ingredient
 
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