|
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 %
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96400 @ 25.00 °C.
|
| Refractive Index: | 1.47800 @ 20.00 °C.
|
| Boiling Point: | 78.00 °C. @ 15.00 mm Hg
|
| Boiling Point: | 201.00 to 202.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.293000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.0 ( Air = 1 ) |
| Flash Point: | 162.00 °F. TCC ( 72.22 °C. )
|
| logP (o/w): | 1.403 (est) |
| Soluble in: |
| | alcohol | | | water, 7241 mg/L @ 25 °C (est) |
Organoleptic Properties:
| |
| Odor Type: sulfurous |
| |
| | 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 |
| |
| | 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) |
| |
| |
| Flavor Type: green |
| |
| | 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) |
| |
| Odor and/or flavor descriptions from others (if found). |
| |
| 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. |
| |
| |
Cosmetic Information:
Suppliers:
| Ambles Nature et Chimie |
| 4-METHYL-4-METHYLTHIO-2 PENTANONE
|
| Beijing Lys Chemicals |
| 4-(Methylthio)-4-methyl-2-pentanone
|
| BOC Sciences |
| For experimental / research use only. |
| 4-Methyl-4-(methylthio)pentan-2-one
|
| Charkit Chemical |
| METHYLTHIO-4-METHYL-2- PENTANONE, 4- FEMA 3376
|
| DeLong Chemicals America |
| 4-(Methylthio)-4-methyl-2-pentanone, Kosher
|
| Endeavour Specialty Chemicals |
| 4-Methyl-4-(methylthio)pentan-2-one 98% F&F
|
| Speciality Chemical Product Groups |
| Jiangyin Healthway |
| 4-Methyl-4-methylthio-2-pentanone
|
| New functional food ingredients |
| Jinan Enlighten Chemical Technology(Wutong Aroma ) |
| 4-methylthio-4- Methyl-2-pentanone, Kosherk
|
| M&U International |
| 4-METHYL-4-METHYLTHIO-2-PENTANONE, Kosher
|
| Pearlchem Corporation |
| 4-Methyl-4-methylthio-2-pentanone
|
| Penta International |
| 4-(METHYLTHIO)-4-METHYL-2-PENTANONE
|
| 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
|
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-Methyl-4-(methylthio)pentan-2-one
|
| 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
|
| Certified Food Grade Products |
| Sunaux International |
| 4-Methyl-4-methylthio-2-pentanone
|
| Synerzine |
| 4-(Methylthio)-4-methyl-2-pentanone
|
| Taytonn ASCC |
| 4-Methylthio-4-Methyl-2-Pentanone
Odor: Fruity, Metallic/ Metal, Sulphurous |
| Tengzhou Jitian Aroma Chemiclal |
| 4-Methyl-4-methylthio-2-pentanone
|
| Tengzhou Xiang Yuan Aroma Chemicals |
| 4-Methyl-4-Methylthio-2-Pentanone
|
| Tianjin Danjun International |
| 4-(Methylthio)-4-methyl-2-pentanone
|
| United International |
| 4-Methyl-4-Methylthio-2-Pentanone
|
| WholeChem |
| 4-(Methylthio)-4-methyl-2-pentanone
|
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.
|
| |
| 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: | 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.
|
| |
| 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
| |
| 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 |
| |
| For Flavor |
| |
| 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 |
| |
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:
|