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4-methyl thiobutyraldehyde

Chemical Structure

General Material Information

Preferred name 4-methyl thiobutyraldehyde
Trivial Name 4-(Methylthio)butanal
Short Description 4-(methylthio)butanal
Formula C5 H12 O S
CAS Number 42919-64-2
FEMA Number 3414
Flavis Number 12.061
ECHA Number 256-001-3
FDA UNII 665I2LWS8I
Nikkaji Number J310.004I
COE Number 11542
xLogP3-AA 0.70 (est)
NMR Predictor External link
JECFA Food Flavoring 468 4-(methylthio)butanal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 42919-64-2 ; 4-(METHYLTHIO)BUTANAL
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
  • 4-methylsulfanylbutanal
  • 4-(Methylthio)butanal
  • 4-(Methylthio)butyraldehyde

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
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Perfumer & Flavorists Start search
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PubMeb Start search
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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):HMDB37474
FooDB:FDB016539
ChemSpider:View
FAO:4-(Methylthio)butanal

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 120.21484375
Specific gravity @ 25 °C
Pounds per Gallon 8.604 to 8.67
Refractive Index 1.507 to 1.513 @ 20 °C
Boiling Point 112 to 115°C @ 20 mm Hg
Vapor Pressure 0.446 mmHg @ 25 °C
Flash Point TCC Value 101.67 °C TCC
logP (o/w) 0.829 est
Solubility
water, 1.726e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Sulfurous
cabbage, garlic
General comment At 0.10 % in propylene glycol. cabbage garlic

Safety Information

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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