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Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to dark yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.12200 to 1.12600 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 9.336 to 9.369
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| Refractive Index: | 1.50800 to 1.51200 @ 20.00 °C.
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| Boiling Point: | 82.00 °C. @ 28.00 mm Hg
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| Boiling Point: | 64.00 to 65.00 °C. @ 11.00 mm Hg
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| Vapor Pressure: | 0.917000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 160.00 °F. TCC ( 71.11 °C. )
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| logP (o/w): | 0.758 (est) |
| Soluble in: |
| | alcohol | | | fats | | | water, 7.611e+004 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
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| Odor Type: sulfurous |
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| | sulfurous fruity berry |
Odor Description: at 0.10 % in dipropylene glycol. | sulfur fruity berry |
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| Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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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 blackberry thiophenone usage levels up to: | | | 0.1000 % in the fragrance concentrate.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 12.00 (μg/capita/day) |
| Structure Class: | II |
| 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: 10 |
| Click here to view publication 10 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 1.00000 |
| beverages(nonalcoholic): | - | 0.50000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | 0.50000 |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | 0.50000 |
| fruit ices: | - | 0.50000 |
| gelatins / puddings: | - | 0.50000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | - | 0.50000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| 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 |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 13679-85-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61664 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| | 2-methylthiolan-3-one |
| Chemidplus: | 0013679851 |
References:
Other Information:
Potential Blenders and core components note
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| For Odor |
| No odor group found for these |
| 4- | methyl-2-(2-methyl propyl)-1,3-oxathiane | |
| alliaceous |
| | methyl furfuryl disulfide | FL/FR |
| amber |
| | ambrette seed absolute | FL/FR |
| balsamic |
| | pine needle absolute | FL/FR |
| scotch | pine wood/needles resinoid | FR |
| berry |
| | blackberry infusions | FL/FR |
| | blackberry specialty | FR |
| | blueberry fragrance | FR |
| | blueberry infusions | FL/FR |
| black | currant fragrance | FR |
| | currant fragrance | FR |
| black | currant infusions | FL/FR |
| | gooseberry fragrance | FR |
| | huckleberry fragrance | FR |
| | mercaptomethyl pentanone | |
| | methyl beta-ionyl acetate | FR |
| | methyl furoate | |
| | raspberry essence | FL/FR |
| | raspberry fragrance | FR |
| black | raspberry fragrance | FR |
| | raspberry infusions | FL/FR |
| | raspberry ketone acetate | FL/FR |
| | rubus fruticosus fruit extract | FL/FR |
| | rubus idaeus fruit tincture | |
| camphoreous |
| 3- | benzylidene-2-butanone | FL/FR |
| beta-homo | cyclocitral | FL/FR |
| caramellic |
| | maltyl isobutyrate | FL/FR |
| | maltyl propionate | FL/FR |
| citrus |
| (R)- | mercapto-3-methyl hexan-1-ol | |
| estery |
| (E)- | tiglyl 2-methyl butyrate | |
| ethereal |
| | propyl formate | FL/FR |
| fermented |
| | valeraldehyde | FL/FR |
| floral |
| | blue lagoon fragrance | FR |
| | boronia absolute | FL/FR |
| | cassis buteneone | FR |
| | citronellyl isovalerate | FL/FR |
| alpha- | damascone | FL/FR |
| delta- | damascone | FL/FR |
| | dihydro-alpha-ionone | FL/FR |
| 2,4- | dimethyl-alpha-allyl-3-cyclohexene methanol | |
| 4,6- | dimethyl-alpha-allyl-3-cyclohexene methanol | |
| | heliotropyl acetone | FL/FR |
| beta- | ionone | FL/FR |
| | nerolin fragarol | FL/FR |
| | rhodinyl butyrate | FL/FR |
| | rose carboxylate | FR |
| | artemisia pallens herb oil | FL/FR |
| 3- | benzyl-4-heptanone | FL/FR |
| | berry hexanoate | FR |
| | berry pentadienoate | FL/FR |
| | blackberry essence | FL/FR |
| | blackberry fragrance | FR |
| | blueberry essence | FL/FR |
| | boysenberry essence | FL/FR |
| | butyl hexanoate | FL/FR |
| 2-tert- | butyl-5-methyl-2-propyl tetrahydrofuran | FR |
| | cassyrane | FL/FR |
| red | currant essence | FL/FR |
| black | currant essence | FL/FR |
| | cyclohexyl isovalerate | FL/FR |
| (E)-alpha- | damascone | FL/FR |
| (Z)-beta- | damascone | FL/FR |
| beta- | damascone | FL/FR |
| (E)-beta- | damascone | FL/FR |
| | davana oil CO2 extract | FL/FR |
| | dihydroactinidolide | FL/FR |
| | etaspirene | FR |
| | ethyl (R)-2-hydroxy-4-methyl pentanoate | FR |
| | ethyl (S)-2-hydroxy-4-methyl pentanoate | FR |
| | ethyl 2-hydroxy-3-methyl valerate | FL/FR |
| | ethyl 2-hydroxy-4-methyl valerate | FR |
| | ethyl 2-methyl butyrate | FL/FR |
| | ethyl methyl-para-tolyl glycidate | FL/FR |
| (E)- | ethyl tiglate | FL/FR |
| | filbert hexenone | FL/FR |
| | fruit specialty | FR |
| | heliotropyl isobutyrate | FL/FR |
| | herbanate (Givaudan) | FR |
| beta- | ionone epoxide | FL/FR |
| | maltyl acetate | FL/FR |
| | maltyl butyrate | FL/FR |
| 3- | mercaptohexyl acetate | FL/FR |
| | methyl 2-methyl valerate | FL/FR |
| 2- | methyl butyl 2-methyl butyrate | FL/FR |
| 3- | nonen-2-one | FL/FR |
| | osmanthus flower absolute | FL/FR |
| 2,6,9,10,10- | pentamethyl-1-oxa-spiro[4.5]deca-3,6-diene | |
| iso | propenyl acetate | FL/FR |
| black | raspberry essence | FL/FR |
| red | raspberry essence | FL/FR |
| | raspberry fruit oil | FR |
| | ribes nigrum fruit extract | FL/FR |
| | ribes rubrum fruit extract | FL/FR |
| iso | spirene | FR |
| | strawberry glycidate 2 | FL/FR |
| | strawberry infusion | FL/FR |
| | styralyl butyrate | FL/FR |
| (S)-3- | thiohexanol | |
| | tropical trithiane | FL/FR |
| | vanilla carboxylate | FL/FR |
| iso | amyl formate | FL/FR |
| 3- | cyclohexyl propyl propionate | |
| (Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
| | thiogeraniol | FL/FR |
| herbal |
| | barosma betulina leaf oil | FL/FR |
| | buchu mercaptan acetate | FL/FR |
| | juniper carboxaldehyde | FR |
| | methyl ortho-anisate | FL/FR |
| mentholic |
| | menthyl acetate racemic | FL/FR |
| minty |
| | diosphenol | FL/FR |
| soapy |
| | ambrettolide | FL/FR |
| spicy |
| black | currant bud absolute | FL/FR |
| | buchu mercaptan | FL/FR |
| 4- | methoxy-2-methyl butane thiol | FL/FR |
| 4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| O- | methyl S-1-methoxyhexan-3-yl carbonothioate | FL/FR |
| 3- | thiohexanol | FL/FR |
| waxy |
| (E)-2- | octen-1-yl butyrate | FL/FR |
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| For Flavor |
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| No flavor group found for these |
| | allyl tiglate | FL |
| iso | amyl 3-methyl thiopropionate | FL |
| 3- | benzylidene-2-butanone | FL/FR |
| 2- | butyl-5-ethyl thiophene | FL |
| | citronellyl isovalerate | FL/FR |
| 3- | cyclohexyl propyl propionate | |
| | dihydroactinidolide | FL/FR |
| | ethyl 2-hydroxy-3-methyl valerate | FL/FR |
| | ethyl 2-methyl-2-(methyl thio) propionate | FL |
| beta- | ionone epoxide | FL/FR |
| | menthyl acetate racemic | FL/FR |
| (R)- | mercapto-3-methyl hexan-1-ol | |
| | mercaptomethyl pentanone | |
| 4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| | methyl furoate | |
| | methyl ortho-anisate | FL/FR |
| 4- | methyl-2-(2-methyl propyl)-1,3-oxathiane | |
| (E)-2- | octen-1-yl butyrate | FL/FR |
| (E)-2- | octen-4-ol | FL |
| 2,6,9,10,10- | pentamethyl-1-oxa-spiro[4.5]deca-3,6-diene | |
| | pine needle absolute | FL/FR |
| S- | prenyl thioisobutyrate | FL |
| S- | prenyl thioisovalerate | FL |
| | rubus idaeus fruit tincture | |
| (S)-3- | thiohexanol | |
| (E)- | tiglyl 2-methyl butyrate | |
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| | allyl thiohexanoate | FL |
| beta- | damascone | FL/FR |
| 3- | mercapto-3-methyl-1-butyl acetate | FL |
| berry |
| | blackberry infusions | FL/FR |
| | blueberry essence | FL/FR |
| | blueberry infusions | FL/FR |
| black | currant infusions | FL/FR |
| | dihydro-alpha-ionone | FL/FR |
| | heliotropyl acetone | FL/FR |
| | maltyl acetate | FL/FR |
| | maltyl butyrate | FL/FR |
| | raspberry essence | FL/FR |
| | raspberry infusions | FL/FR |
| | raspberry ketone acetate | FL/FR |
| | rubus fruticosus fruit extract | FL/FR |
| | rubus idaeus fruit extract | FL |
| caramellic |
| | maltyl propionate | FL/FR |
| citrus |
| 3- | mercaptoheptyl acetate | FL |
| coffee |
| | methyl furfuryl disulfide | FL/FR |
| cooling |
| beta-homo | cyclocitral | FL/FR |
| ethereal |
| iso | propenyl acetate | FL/FR |
| floral |
| 2,4- | dimethyl-alpha-allyl-3-cyclohexene methanol | |
| 4,6- | dimethyl-alpha-allyl-3-cyclohexene methanol | |
| 2- | methyl butyl 3-methyl butenoate | FL |
| | rhodinyl butyrate | FL/FR |
| fruity |
| | artemisia pallens herb oil | FL/FR |
| 3- | benzyl-4-heptanone | FL/FR |
| | berry pentadienoate | FL/FR |
| | blackberry essence | FL/FR |
| | boronia absolute | FL/FR |
| | boysenberry essence | FL/FR |
| | buchu mercaptan acetate | FL/FR |
| | butyl hexanoate | FL/FR |
| | cassyrane | FL/FR |
| black | currant essence | FL/FR |
| red | currant essence | FL/FR |
| | cyclohexyl isovalerate | FL/FR |
| (E)-beta- | damascone | FL/FR |
| (Z)-beta- | damascone | FL/FR |
| (E)-alpha- | damascone | FL/FR |
| alpha- | damascone | FL/FR |
| | davana oil CO2 extract | FL/FR |
| | ethyl (E)-2-methyl-2-pentenoate | FL |
| | ethyl 2-methyl butyrate | FL/FR |
| | ethyl 3-oxohexanoate | FL |
| | ethyl methyl-para-tolyl glycidate | FL/FR |
| (E)- | ethyl tiglate | FL/FR |
| | filbert hexenone | FL/FR |
| | furfuryl isovalerate | FL |
| | heliotropyl isobutyrate | FL/FR |
| 3- | mercaptohexyl hexanoate | FL |
| | methionyl butyrate | FL |
| | methyl 2-methyl valerate | FL/FR |
| 2- | methyl butyl 2-methyl butyrate | FL/FR |
| | nerolin fragarol | FL/FR |
| | osmanthus flower absolute | FL/FR |
| | propyl formate | FL/FR |
| red | raspberry essence | FL/FR |
| black | raspberry essence | FL/FR |
| | ribes nigrum fruit extract | FL/FR |
| | ribes rubrum fruit extract | FL/FR |
| | strawberry glycidate 2 | FL/FR |
| | strawberry infusion | FL/FR |
| | styralyl butyrate | FL/FR |
| | tropical trithiane | FL/FR |
| | vanilla carboxylate | FL/FR |
| green |
| iso | amyl formate | FL/FR |
| (Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
| | thiogeraniol | FL/FR |
| herbal |
| | barosma betulina leaf oil | FL/FR |
| jammy |
| | maltyl isobutyrate | FL/FR |
| minty |
| | diosphenol | FL/FR |
| oily |
| 3- | nonen-2-one | FL/FR |
| roasted |
| O- | methyl S-1-methoxyhexan-3-yl carbonothioate | FL/FR |
| soapy |
| | ambrettolide | FL/FR |
| spicy |
| black | currant bud absolute | FL/FR |
| sulfurous |
| | buchu mercaptan | FL/FR |
| S- | ethyl thioacetate | FL |
| 4- | methoxy-2-methyl butane thiol | FL/FR |
| 3- | thiohexanol | FL/FR |
| tropical |
| 3- | mercaptohexyl acetate | FL/FR |
| winey |
| | valeraldehyde | FL/FR |
| woody |
| | ambrette seed absolute | FL/FR |
| delta- | damascone | FL/FR |
| beta- | ionone | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | dihydro-2-methyl thiophen-3(2H)-one | | | dihydro-2-methyl-3-thiophenone | | | dihydro-2-methyl-3(2H)-thiophenone | | 4,5- | dihydro-2-methyl-3(2H)-thiophenone | | 4,5- | dihydro-2-methylthiophen-3(2H)-one | | 2- | methyl tetrahydrothiophen-3-one | | 2- | methyl tetrahydrothiophene-3-one | | 2-( | methyl thio) lan-3-one | | 2- | methyl thiolan-3-one | | | methyl-2 tetrahydrothiophen-3-one 10% in vegetable oil | | | methyl-2 tetrahydrothiophen-3-one pure | | 2- | methyl-2,4,5-trihydrothiophen-3-one | | 2- | methyl-3-oxotetrahydrothiophene | | 2- | methyl-3-tetrahydrothiophenone | | 2- | methyl-4,5-dihydro-3,2H-thiophenone | | 2- | methyl-4,5-dihydro-3(2H)-thiophenone | | 2- | methyl-4,5-dihydro-3(2H)thio-phenone | | 2- | methyldihydrothiophen-3(2H)-one | | 2- | methyltetrahydrothiophen-3-one | | 2-( | methylthio) lan-3-one | | 2- | methylthiolan-3-one | | | thiophen-3-one, 2-methyltetrahydro- | | 3(2H)- | thiophenone, dihydro-2-methyl- |
Articles:
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