Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 99.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.96400 @ 25.00 °C.
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Refractive Index: | 1.47800 @ 20.00 °C.
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Boiling Point: | 78.00 °C. @ 15.00 mm Hg
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Boiling Point: | 201.00 to 202.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.293000 mmHg @ 25.00 °C. (est) |
Vapor Density: | 5.0 ( Air = 1 ) |
Flash Point: | 162.00 °F. TCC ( 72.22 °C. )
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logP (o/w): | 1.403 (est) |
Soluble in: |
| alcohol | | water, 7241 mg/L @ 25 °C (est) |
Organoleptic Properties:
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Odor Type: sulfurous |
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| sulfurous green metallic musty rooty fruity tropical currant bud black currant bud |
Odor Description: at 0.10 % in dipropylene glycol. | sulfury green metallic musty rooty fruity tropical black currant |
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| sulfurous green metallic musty rooty fermented fruity tropical |
Odor Description:
| SuIfureous, green, metallic, musty and rooty with fermented, fruity and tropical nuances Mosciano, Gerard P&F 20, No. 5, 49, (1995) |
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Flavor Type: green |
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| green sulfurous metallic horseradish cabbage vegetable herbal |
Taste Description: at 25.00 ppm. | Green, sulfureous, metallic, horseradish, cabbage, vegetative and herbal nuances Mosciano, Gerard P&F 20, No. 5, 49, (1995) |
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Odor and/or flavor descriptions from others (if found). |
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R C Treatt & Co Ltd |
4-Methyl-4-methylthiopentan-2-one Halal, Kosher |
Odor Description: | sulphurous, horseradish, fried garlic, Green, fruity, blackcurrant at high dilution |
Taste Description: | horseradish Used in bakery and soft confection at 2ppm, and frozen dairy, meat products, desserts and beverages at 1ppm. |
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Cosmetic Information:
Suppliers:
Ambles Nature et Chimie |
4-METHYL-4-METHYLTHIO-2 PENTANONE
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Beijing Lys Chemicals |
4-(Methylthio)-4-methyl-2-pentanone
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BOC Sciences |
For experimental / research use only. |
4-Methyl-4-(methylthio)pentan-2-one
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Charkit Chemical |
METHYLTHIO-4-METHYL-2- PENTANONE, 4- FEMA 3376
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DeLong Chemicals America |
4-(Methylthio)-4-methyl-2-pentanone, Kosher
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Endeavour Specialty Chemicals |
4-Methyl-4-(methylthio)pentan-2-one 98% F&F
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Speciality Chemical Product Groups |
Jiangyin Healthway |
4-Methyl-4-methylthio-2-pentanone
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New functional food ingredients |
Jinan Enlighten Chemical Technology(Wutong Aroma ) |
4-methylthio-4- Methyl-2-pentanone, Kosherk
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M&U International |
4-METHYL-4-METHYLTHIO-2-PENTANONE, Kosher
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Pearlchem Corporation |
4-Methyl-4-methylthio-2-pentanone
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Penta International |
4-(METHYLTHIO)-4-METHYL-2-PENTANONE
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R C Treatt & Co Ltd |
4-Methyl-4-methylthiopentan-2-one
Halal, Kosher Odor: sulphurous, horseradish, fried garlic, Green, fruity, blackcurrant at high dilution Flavor: horseradish Used in bakery and soft confection at 2ppm, and frozen dairy, meat products, desserts and beverages at 1ppm. |
Robinson Brothers |
4-Methyl-4-(methylthio)pentan-2-one F&F
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https://www.robinsonbrothers.uk/chemistry-competences |
Santa Cruz Biotechnology |
For experimental / research use only. |
4-Methyl-4-(methylthio)pentan-2-one
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Shijiazhuang Donglian Nankai Aroma Chemicals |
4-Methylthio-4-methyl-2-pentanone
Odor: Fresh, moldy, tropicalfruit, vegetable, herb and fried garlic |
Sigma-Aldrich |
4-Methylthio-4-methyl-2-pentanone, ≥98%, FG
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Certified Food Grade Products |
Sunaux International |
4-Methyl-4-methylthio-2-pentanone
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Synerzine |
4-(Methylthio)-4-methyl-2-pentanone
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Taytonn ASCC |
4-Methylthio-4-Methyl-2-Pentanone
Odor: Fruity, Metallic/ Metal, Sulphurous |
Tengzhou Jitian Aroma Chemiclal |
4-Methyl-4-methylthio-2-pentanone
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Tengzhou Xiang Yuan Aroma Chemicals |
4-Methyl-4-Methylthio-2-Pentanone
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Tianjin Danjun International |
4-(Methylthio)-4-methyl-2-pentanone
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United International |
4-Methyl-4-Methylthio-2-Pentanone
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WholeChem |
4-(Methylthio)-4-methyl-2-pentanone
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Safety Information:
Preferred SDS: View |
European information : |
Most important hazard(s): | Xi - Irritant |
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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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: | flavor and fragrance agents |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
Recommendation for cassis pentanone usage levels up to: | | 0.1000 % in the fragrance concentrate.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (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 ppm | average maximum ppm |
baked goods: | - | 2.00000 |
beverages(nonalcoholic): | - | 1.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 1.00000 |
fruit ices: | - | 1.00000 |
gelatins / puddings: | - | 1.00000 |
granulated sugar: | - | - |
gravies: | - | 1.00000 |
hard candy: | - | 2.00000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | 1.00000 |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | 1.00000 |
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 Substance Registry Services (TSCA): | 23550-40-5 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 4682590 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 3 |
| 4-methyl-4-methylsulfanylpentan-2-one |
Chemidplus: | 0023550405 |
References:
Other Information:
Potential Blenders and core components note
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For Odor |
No odor group found for these |
N- | methyl-pyrryl-2 furfuryl sulfide | |
(N- | methyl-pyrryl-2)-methylthiol acetate | |
aldehydic |
| fresh carbaldehyde | FR |
iso | freshal | FR |
| dipropyl disulfide | FL/FR |
balsamic |
| abies alba needle oil | FL/FR |
| lime oil fractions | FR |
earthy |
2- | ethyl fenchol | FL/FR |
| octyl phenyl acetate | FL/FR |
fatty |
| allyl octanoate | FL/FR |
floral |
| boronia concrete | FL/FR |
| cassis buteneone | FR |
| cassis cyclohexene | FR |
| cassis oxime 10% | FR |
| cassis specialty | FR |
| citronellyl isovalerate | FL/FR |
black | currant bud concrete | FL/FR |
| cyclohexyl salicylate | FR |
delta- | damascone | FL/FR |
| floral pyran | FR |
(Z)-3- | hexen-1-yl salicylate | FL/FR |
| hyacinth ether | FR |
beta- | ocimene | FL/FR |
| phenethyl butyl ether | FR |
| rose butanoate | FL/FR |
fruity |
| artemisia pallens herb oil | FL/FR |
black | currant bud water | FL/FR |
(Z)-beta- | damascone | FL/FR |
| dimethyl benzyl carbinyl isobutyrate | FR |
| ethyl 3-hexenoate | FL/FR |
3- | mercaptohexyl acetate | FL/FR |
| neocaspirene | FL/FR |
| propyl hexanoate | FL/FR |
| rhubarb pyran | FR |
| ribes nigrum bud extract | FL/FR |
| tropical thiazole | FL/FR |
| tropical trithiane | FL/FR |
green |
black | currant bud absolute replacer | FL/FR |
3- | cyclohexyl propyl formate | |
| galbanum oil | FL/FR |
| green ether | FL/FR |
1- | hepten-3-ol | FL/FR |
(Z)-3- | hexen-1-yl octanoate | FL/FR |
(S)-1- | hexen-3-ol | |
iso | propyl quinoline | FR |
4-iso | propyl quinoline | FL/FR |
| valerian rhizome oil CO2 extract china | FL/FR |
herbal |
1- | allyl-2,2,7,7-tetramethyl cycloheptanol | FR |
| barosma betulina leaf oil | FL/FR |
| buchu mercaptan acetate | FL/FR |
| juniper carboxaldehyde | FR |
3- | mercapto-4-heptanone | |
| methyl ortho-anisate | FL/FR |
1,3- | oxathiane, 2-ethyl-4,4-dimethyl- | FR |
| valerian rhizome oil | FL/FR |
| valerian rhizome oil china | FL/FR |
malty |
S- | methyl methioninium chloride | |
medicinal |
2,6- | xylenol | FL/FR |
minty |
| agathosma crenulata leaf oil | FL/FR |
| diosphenol | FL/FR |
spicy |
black | currant bud absolute | FL/FR |
| buchu mercaptan | FL/FR |
2,4- | dimethyl-1,3-dithiolane | |
1,2- | dithiane | |
| lychee mercaptan acetate | FL/FR |
| mango thiol | FL/FR |
4- | methoxy-2-methyl butane thiol | FL/FR |
(S)-1- | methoxy-3-heptane thiol | FL/FR |
4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
3-( | methyl thio) hexanol | FL/FR |
2- | phenethyl isothiocyanate | FL/FR |
4- | tropical oxathiane | FL/FR |
terpenic |
| cassis bud oil | FL/FR |
tonka |
| melilot absolute | FR |
tropical |
cis- | galbanum oxathiane | FL/FR |
2- | tropical oxathiane | FL/FR |
waxy |
| cyclododecyl acetate | FR |
| nonyl acetate | FL/FR |
woody |
| amyris bark oil | FL/FR |
2- | methyl-3-isopropyl pyrazine | |
| vetiver oil haiti | FL/FR |
| vetiver resinoid | FR |
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For Flavor |
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No flavor group found for these |
| amyris bark oil | FL/FR |
| boronia concrete | FL/FR |
| butyl isothiocyanate | FL |
| citronellyl isovalerate | FL/FR |
3- | cyclohexyl propyl formate | |
| elecampane root absolute | FL |
| elecampane root oil | FL |
| epoxy-2-decenal | FL |
| ethyl 2-(methyl thio) acetate | FL |
(S)-1- | hexen-3-ol | |
| melilot oleoresin | FL |
3- | mercapto-4-heptanone | |
4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| methyl ortho-anisate | FL/FR |
2- | methyl-5-methoxythiazole | FL |
| neocaspirene | FL/FR |
| octyl phenyl acetate | FL/FR |
2- | phenethyl isothiocyanate | FL/FR |
4-iso | propyl quinoline | FL/FR |
alliaceous |
| benzyl mercaptan | FL |
| dipropyl disulfide | FL/FR |
| dipropyl trisulfide | FL |
| tropical thiazole | FL/FR |
| truffle sulfide | FL |
astringent |
N- | methyl-pyrryl-2 furfuryl sulfide | |
burnt |
2,6- | xylenol | FL/FR |
earthy |
2- | ethyl fenchol | FL/FR |
2- | methyl-3-isopropyl pyrazine | |
fatty |
| allyl octanoate | FL/FR |
fruity |
| artemisia pallens herb oil | FL/FR |
| buchu mercaptan acetate | FL/FR |
| cassis bud oil | FL/FR |
| cassis distillates | FL |
black | currant bud absolute replacer | FL/FR |
black | currant bud concrete | FL/FR |
black | currant bud flavor | FL |
black | currant bud water | FL/FR |
(Z)-beta- | damascone | FL/FR |
| ethyl 3-hexenoate | FL/FR |
(S)-1- | methoxy-3-heptane thiol | FL/FR |
| propyl hexanoate | FL/FR |
| ribes nigrum bud extract | FL/FR |
| rose butanoate | FL/FR |
4- | tropical oxathiane | FL/FR |
| tropical trithiane | FL/FR |
| valerian rhizome oil | FL/FR |
| valerian rhizome oil china | FL/FR |
| valerian rhizome oil CO2 extract china | FL/FR |
garlic |
1,2- | dithiane | |
green |
| galbanum oil | FL/FR |
cis- | galbanum oxathiane | FL/FR |
| green ether | FL/FR |
1- | hepten-3-ol | FL/FR |
(Z)-3- | hexen-1-yl octanoate | FL/FR |
(Z)-3- | hexen-1-yl salicylate | FL/FR |
beta- | ocimene | FL/FR |
herbal |
| barosma betulina leaf oil | FL/FR |
| buchu oil fractions | FL |
juicy |
| lychee mercaptan acetate | FL/FR |
metallic |
3-( | methyl thio) hexanol | FL/FR |
(N- | methyl-pyrryl-2)-methylthiol acetate | |
minty |
| agathosma crenulata leaf oil | FL/FR |
| diosphenol | FL/FR |
onion |
2,4- | dimethyl-1,3-dithiolane | |
| methyl propyl trisulfide | FL |
spicy |
black | currant bud absolute | FL/FR |
sulfurous |
| allyl sulfide | FL |
| buchu leaf distillates | FL |
| buchu mercaptan | FL/FR |
| diallyl trisulfide | FL |
O- | ethyl S-1-methoxyhexan-3-yl carbonothioate | FL |
| mango thiol | FL/FR |
4- | methoxy-2-methyl butane thiol | FL/FR |
| methyl 2-(methyl thio) butyrate | FL |
| methyl benzyl disulfide | FL |
S- | methyl methioninium chloride | |
terpenic |
| abies alba needle oil | FL/FR |
tropical |
3- | mercaptohexyl acetate | FL/FR |
2- | tropical oxathiane | FL/FR |
vegetable |
| potato butyraldehyde | FL |
| radish isothiocyanate | FL |
waxy |
| nonyl acetate | FL/FR |
delta- | damascone | FL/FR |
| vetiver oil haiti | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| corps de cassis | 4- | methyl mercapto-4-methyl pentan-2-one | 4- | methyl thio-4-methyl-2-pentanone | 4-( | methyl thio)-4-methyl-2-pentanone | 4- | methyl-4-(methyl thio) pentan-2-one | 4- | methyl-4-(methyl thio)-2-pentanone | 4- | methyl-4-(methylmercapto)pentan-2-one | 4- | methyl-4-(methylsulfanyl)pentan-2-one | 4- | methyl-4-(methylthio)-2-pentanone | 4- | methyl-4-(methylthio)pentan-2-one | 4- | methyl-4-methylsulfanylpentan-2-one | 4- | methyl-4-methylthio-2-pentanone | 4- | methyl-4-methylthiopentan-2-one | 4- | methylthio-4-methyl-2-pentanone | 4-( | methylthio)-4-methyl-2-pentanone | 2- | pentanone, 4-methyl-4-(methylthio)- |
Articles:
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