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

4-methyl thiobutyraldehyde
4-(methylthio)butanal

Supplier Sponsors

Name:4-methylsulfanylbutanal
CAS Number: 42919-64-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:256-001-3
FDA UNII:665I2LWS8I
Nikkaji Web:J310.004I
CoE Number:11542
XlogP3-AA:0.70 (est)
Molecular Weight:120.21484000
Formula:C5 H12 O S
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:468 4-(methylthio)butanal
DG SANTE Food Flavourings:12.061 4-(methylthio)butanal
FEMA Number:3414 4-(methylthio)butanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):42919-64-2 ; 4-(METHYLTHIO)BUTANAL
 
Physical Properties:
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03400 to 1.04200 @ 25.00 °C.
Pounds per Gallon - (est).: 8.604 to 8.670
Refractive Index:1.50700 to 1.51300 @ 20.00 °C.
Boiling Point: 112.00 to 115.00 °C. @ 20.00 mm Hg
Vapor Pressure:0.446000 mmHg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 0.829 (est)
Soluble in:
 water, 1.726e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
cabbage garlic
Odor Description:at 0.10 % in propylene glycol. cabbage garlic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Butanal,4-(methylthio)-
Parchem
4-methyl thiobutyraldehyde
Penta International
4-METHYLTHIOBUTANAL
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 4-methyl thiobutyraldehyde 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: 7
Click here to view publication 7
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: --
granulated sugar: --
gravies: -5.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -5.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: -5.00000
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -5.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62000
National Institute of Allergy and Infectious Diseases:Data
4-methylsulfanylbutanal
Chemidplus:0042919642
 
References:
 4-methylsulfanylbutanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:42919-64-2
Pubchem (cid):62000
Pubchem (sid):135019825
 
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):HMDB37474
FooDB:FDB016539
ChemSpider:View
FAO:4-(Methylthio)butanal
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanal, 4-(methylthio)-
gamma-(methyl mercapto) butyraldehyde
gamma-methyl mercaptobutyraldehyde
4-(methyl thio) butanal
4-(methyl thio) butyraldehyde
gamma-(methyl thio) butyraldehyde
4-(methylsulfanyl)butanal
4-methylsulfanylbutanal
4-(methylthio)butanal
4-(methylthio)butyraldehyde
4-methylthiobutanal
 
 
Notes:
Flavouring ingredient
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