Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to yellow clear liquid (est) |
Assay: | 95.00 to 100.00
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 1.15400 to 1.15800 @ 25.00 °C.
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Pounds per Gallon - (est).: | 9.602 to 9.636
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Refractive Index: | 1.43700 to 1.44300 @ 20.00 °C.
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Boiling Point: | 258.00 to 260.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 1.297000 mmHg @ 25.00 °C. (est) |
Flash Point: | 137.00 °F. TCC ( 58.33 °C. )
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logP (o/w): | 1.021 (est) |
Soluble in: |
| alcohol | | water, 3.026e+004 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
Odor Type: meaty |
pungent meaty |
Odor Description:at 0.01 % in propylene glycol. pungent meaty |
Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
Not determined
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavoring agents |
Recommendation for 4-mercapto-2-pentanone 1% in acetoin usage levels up to: | | not for fragrance use.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2000 (μg/person/day) |
Threshold of Concern: | 1800 (μg/person/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: 22 |
Click here to view publication 22 |
| average usual ppm | average maximum ppm |
baked goods: | 10.00000 | 30.00000 |
beverages(nonalcoholic): | 1.00000 | 5.00000 |
beverages(alcoholic): | 5.00000 | 10.00000 |
breakfast cereal: | - | - |
cheese: | 1.00000 | 10.00000 |
chewing gum: | - | - |
condiments / relishes: | 2.00000 | 10.00000 |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | 5.00000 | 20.00000 |
fish products: | - | - |
frozen dairy: | 5.00000 | 10.00000 |
fruit ices: | - | - |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | 2.00000 | 10.00000 |
hard candy: | 5.00000 | 20.00000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | 3.00000 | 20.00000 |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | 2.00000 | 10.00000 |
reconstituted vegetables: | - | - |
seasonings / flavors: | 5.00000 | 30.00000 |
snack foods: | 5.00000 | 30.00000 |
soft candy: | - | - |
soups: | 1.00000 | 10.00000 |
sugar substitutes: | - | - |
sweet sauces: | - | - |
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Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| average usage mg/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | 5.00000 | 10.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 20.00000 |
Edible ices, including sherbet and sorbet (03.0): | - | - |
Processed fruit (04.1): | 2.00000 | 10.00000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 2.00000 | 10.00000 |
Confectionery (05.0): | - | - |
Chewing gum (05.3): | - | - |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - |
Bakery wares (07.0): | 10.00000 | 30.00000 |
Meat and meat products, including poultry and game (08.0): | 3.00000 | 20.00000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 30.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | - | - |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.00000 | 5.00000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 5.00000 | 10.00000 |
Ready-to-eat savouries (15.0): | 5.00000 | 30.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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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
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Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011) View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012) View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 View page or View pdf
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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 :527393 |
National Institute of Allergy and Infectious Diseases:Data |
4-sulfanylpentan-2-one 1% in acetoin |
Chemidplus:0092585085 |
References:
Other Information:
Potential Blenders and core components note
For Odor |
alliaceous |
dimethyl trisulfide FL/FR |
burnt |
rum ether FL/FR |
coffee |
coffee difuran FL/FR |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR |
earthy |
nutty pyrazine FL/FR |
fermented |
ethyl crotonate FL/FR |
fruity |
tropical thiazole FL/FR |
tropical trithiane FL/FR |
green |
2- heptyl furan FL/FR |
(E,Z)-2,6- nonadienal FL/FR |
meaty |
meaty dithiane FL/FR |
4- methyl nonanoic acid FL/FR |
sulfurol FL/FR |
sulfuryl acetate FL/FR |
moldy |
strawberry furanone methyl ether FL/FR |
musty |
hazelnut pyrazine FL/FR |
nutty |
4,5- dimethyl-2-ethyl-3-thiazoline FL/FR |
2- ethyl-4-methyl thiazole FL/FR |
2- methyl pyrazine FL/FR |
2- methyl-3-(methyl thio) pyrazine FL/FR |
phenolic |
2,3- dimethyl benzofuran FL/FR |
ortho- guaiacol FL/FR |
4- vinyl phenol FL/FR |
smoky |
pyroligneous acids FL/FR |
sulfurous |
benzothiazole FL/FR |
ethyl 2-mercaptopropionate FL/FR |
ethyl 3-mercaptopropionate FL/FR |
fish thiol FL/FR |
2- mercaptopropionic acid FL/FR |
4- methyl 4-mercaptopentan-2-one 1% solution FL/FR |
2-( methyl thio) phenol FL/FR |
1- phenethyl mercaptan FL/FR |
tobacco |
methyl benzoxole FL/FR |
For Flavor |
No flavor group found for these |
4- acetyl-2-methyl pyrimidine FL |
gamma- aminobutyric acid FL |
amyl mercaptan FL |
1,2- butane dithiol FL |
2-(2- butyl)-4,5-dimethyl-3-thiazoline FL |
cyclopropyl (E,Z)-2,6-nonadienamide FL |
2,5- diethyl thiazole FL |
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine FL |
dimethyl tetrasulfide FL |
2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone FL |
bis(2,5- dimethyl-3-furyl) disulfide FL |
(Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL |
(Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL |
2,5- dimethyl-3-thiofuroyl furan FL |
ethyl (E,Z)-2,6-nonadienamide FL |
S- ethyl 2-acetyl aminoethane thioate FL |
ethyl 3-mercaptopropionate FL/FR |
ethyl 4-(acetyl thio) butyrate FL |
2- ethyl-3-methyl thiopyrazine FL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL |
2- hexyl thiophene FL |
1-(3- hydroxy-5-methyl-2-thienyl) ethanone FL |
4- mercapto-3-methyl-2-butanol FL |
4- methyl 4-mercaptopentan-2-one 1% solution FL/FR |
methyl dihydrofuran thiol FL |
2- methyl thiazolidine FL |
2-( methyl thio) ethanol FL |
2- methyl-1-butane thiol FL |
4- methyl-2-(methyl thiomethyl)-2-hexenal FL |
2- methyl-2-thiazoline FL |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR |
2- methyl-3-(methyl thio) pyrazine FL/FR |
2- methyl-3-furyl tetrasulfide FL |
3-((2- methyl-3-furyl)thio)-4-heptanone FL |
4-((2- methyl-3-furyl)thio)-5-nonanone FL |
1,9- nonane dithiol FL |
peanut dithiazine FL |
1- phenethyl mercaptan FL/FR |
1,3- propane dithiol FL |
iso propyl disulfide FL |
thiazole FL |
3- thienyl mercaptan FL |
thioacetic acid FL |
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3,5- diisopropyl-1,2,4-trithiolane FL |
N-(2-(3,4- dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide FL |
3,5- dimethyl-1,2,4-trithiolane FL |
3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL |
2,4- dimethyl-3-oxazoline FL |
2- methyl-1-methyl thio-2-butene FL |
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL |
1-(2- thienyl) butanone FL |
alliaceous |
alliaceous |
allyl disulfide FL |
1,3- butane dithiol FL |
cyclopentyl mercaptan FL |
dimethyl trisulfide FL/FR |
3- mercapto-2-pentanone FL |
3- tetrahydrothiophenone FL |
tropical thiazole FL/FR |
burnt |
bacon dithiazine FL |
1,6- hexane dithiol FL |
rum ether FL/FR |
chemical |
2,3- dimethyl benzofuran FL/FR |
2,5- dimethyl furan FL |
cocoa |
butyraldehyde FL |
coffee |
coffee difuran FL/FR |
2- ethyl-4-methyl thiazole FL/FR |
earthy |
difurfuryl sulfide FL |
1,8- octane dithiol FL |
eggy |
iso propyl mercaptan FL |
fatty |
2- heptyl furan FL/FR |
4- methyl nonanoic acid FL/FR |
2- pentyl thiophene FL |
fruity |
tropical trithiane FL/FR |
green |
4- methyl thiazole FL |
(E,Z)-2,6- nonadienal FL/FR |
4- penten-1-yl acetate FL |
meaty |
4- allyl-2,6-dimethoxyphenol FL |
benzothiazole FL/FR |
2,6- dimethyl thiophenol FL |
2,5- dimethyl-3-furan thiol FL |
1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL |
furfuryl 2-methyl-3-furyl disulfide FL |
4- furfuryl thio-2-pentanone FL |
meaty dithiane FL/FR |
3- mercapto-2-butanone FL |
2- mercaptomethyl pyrazine FL |
2- mercaptopropionic acid FL/FR |
2- methyl 3-(methyl thio) furan FL |
2-( methyl thio) phenol FL/FR |
methyl thiofuryl butanal FL |
12- methyl tridecanal FL |
bis(2- methyl-3-furyl) disulfide FL |
S-(2- methyl-3-furyl) ethane thioate FL |
2- methyl-3-tetrahydrofuran thiol FL |
2- methyl-3-thioacetoxytetrahydrofuran FL |
phenyl mercaptan FL |
propyl 2-mercaptopropionate FL |
propyl 2-methyl-3-furyl disulfide FL |
pyrazinyl ethane thiol FL |
2- pyridinyl methane thiol FL |
sulfurol FL/FR |
sulfuryl acetate FL/FR |
thialdine FL |
ortho- thiocresol FL |
ortho- thioguaiacol FL |
metallic |
2,5- dihydroxy-1,4-dithiane FL |
moldy |
strawberry furanone methyl ether FL/FR |
musty |
hazelnut pyrazine FL/FR |
nutty |
3- acetyl-2,5-dimethyl thiophene FL |
2- acetyl-4-methyl thiazole FL |
3,5- diethyl-2-methyl pyrazine FL |
2,5- diethyl-3-methyl pyrazine FL |
4,5- dimethyl-2-ethyl-3-thiazoline FL/FR |
methyl benzoxole FL/FR |
2- methyl pyrazine FL/FR |
nutty pyrazine FL/FR |
nutty thiazole FL |
onion |
ethyl 2-mercaptopropionate FL/FR |
furfuryl isopropyl sulfide FL |
phenolic |
2- ethyl benzene thiol FL |
4- vinyl phenol FL/FR |
popcorn |
2- propionyl-2-thiazoline FL |
radish |
3-( methyl thio) propyl mercaptoacetate FL |
roasted |
hexyl mercaptan FL |
rummy |
ethyl crotonate FL/FR |
savory |
N-(2,4- dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide FL |
N-( heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide FL |
N1-(2- methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide FL |
N1-(2- methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide FL |
smoky |
prosopis juliflora wood extract FL |
pyroligneous acids FL/FR |
sulfurous |
2,3- butane dithiol FL |
ethyl methyl sulfide FL |
S- ethyl thioacetate FL |
fish thiol FL/FR |
methyl 2-methyl-3-furyl disulfide FL |
3- methyl-2-butane thiol FL |
2- naphthyl mercaptan FL |
roasted butanol FL |
vegetable |
tyramine FL |
wasabi |
2-( methyl thio) ethyl acetate FL |
woody |
ortho- guaiacol FL/FR |
yeasty |
faex extracts FL |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
4- | mercapto-2-pentanone | 4- | mercaptopentan-2-one | 4- | mercaptopentan-2-one 1% in acetoin | | pentan-2-one, 4-mercapto- | 2- | pentanone, 4-mercapto- | 4- | sulfanylpentan-2-one | 4- | sulfanylpentan-2-one 1% in acetoin | 4,2- | thiopentanone 1% in acetoin |
Articles:
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