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    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
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  4. 4.
    Organoleptic Properties
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potato butyraldehyde

General Material Information

Preferred name potato butyraldehyde
Trivial Name 3-methylsulfanylbutanal
Short Description 3-(methylthio)butanal
Formula C5 H10 O S
CAS Number 16630-52-7
CAS Number 16630-52-7 (R)
CAS Number 16630-52-7 (S)
FEMA Number 3374
Flavis Number 12.056
ECHA Number 240-678-7
FDA UNII 1B27G5W046
Nikkaji Number J318.266E
MDL MFCD00036622
COE Number 11687
xLogP3-AA 0.70 (est)
NMR Predictor External link
JECFA Food Flavoring 467 3-(methylthio)butanal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 16630-52-7 ; 3-(METHYLTHIO)BUTANAL
Synonyms
  • butanal, 3-(methylthio)-
  • butyraldehyde, 3-(methylthio)-
  • 3-methyl thio butanal
  • 3-( methyl thio) butanal
  • 3-( methyl thio) butyraldehyde
  • beta-( methyl thio) butyraldehyde
  • 3-methyl thiobutanal
  • 3-methyl thiobutyraldehyde
  • 3-( methylmercapto)butyraldehyde
  • 3-( methylsulfanyl)butanal
  • 3-methylsulfanylbutanal
  • 3-methylthio butylaldehyde
  • 3-( methylthio) butanal
  • 3-( methylthio)butanal
  • 3-( methylthio)butyraldehyde
  • b-( methylthio)butyraldehyde
  • 3-methylthiobutanal
  • 3-methylthiobutanal natural

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

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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):HMDB41491
FooDB:FDB021461
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-(Methylthio)butanal

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 118.19889831543
Specific gravity @ 25 °C
Pounds per Gallon 9.469 to 11.758
Refractive Index 1.433 to 1.438 @ 20 °C
Boiling Point 63 to 65°C @ 10 mm Hg
Boiling Point 190 to 192°C @ 760 mm Hg
Vapor Pressure 1.233 mmHg @ 25 °C
Vapor Density 4
Flash Point TCC Value 48.89 °C TCC
logP (o/w) 0.789 est
Solubility
alcohol Yes
water, 1.994e+004 mg/L @ 25 °C (est) Yes
oils Yes
propylene glycol Yes
water No

Organoleptic Properties

Odor Type: Green
green, musk, buchu, potato chip, sulfurous, vegetable, cabbage, fishy
General comment At 0.10 % in dipropylene glycol. green musk buchu potato chip
Mosciano, Gerard P&F 18, No. 3, 53, (1993) Sulfureous, vegetative, cabbage-like and green with a fishy nuance
Flavor Type: Vegetable
vegetable, tomato, fishy, sulfurous
Mosciano, Gerard P&F 18, No. 3, 53, (1993) At 0.20 ppm. Vegetative, tomato, fishy and sulfureous
Used in condiments, pickles, vegetable flavors. Green
Sulphurous, vegetative, cabbage-like and green with a fishy nuance; and taste: vegetative, tomato, fishy and sulphurous" at 0.2 ppm. Closely related to 3-methylthiopropanal (Methional: FEMA# 2747), an important contributor to tomato flavor. The description given by us corresponds to that of Fischetti (1980). Used in Tomato, Vegetable, Pickle and Condiment flavors. Normal use levels in finished consumer product: up to 2 ppm. Cooked tomato & fried, 'Soy sauce' -like

Occurrences

Potential Uses

Applications
Flavoring purposes Buchu leaf, Cabbage, Fish, Green, Pickle, Potato chip, Tomato, Vegetable

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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 potato butyraldehyde usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.085 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: -2.00000
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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

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):16630-52-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61845
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1989
WGK Germany:3
3-methylsulfanylbutanal
Chemidplus:0016630527
(3R)-3-methylsulfanylbutanal
(3S)-3-methylsulfanylbutanal