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: |
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 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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