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Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Organoleptic Properties:
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| Odor Type: sulfurous |
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| | cooked vegetable mustard |
Odor Description: at 0.10 % in propylene glycol. | cooked vegetable mustard |
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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 12 - Extremely flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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: |
gavage-rat LD50 7168 mg/kg (Fairchild & Stokinger, 1958)
intraperitoneal-rat LD50 917 mg/kg BEHAVIORAL: EXCITEMENT
PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
LUNGS, THORAX, OR RESPIRATION: CYANOSIS American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
oral-rat LD50 7168 mg/kg BEHAVIORAL: ATAXIA
BEHAVIORAL: MUSCLE WEAKNESS
LUNGS, THORAX, OR RESPIRATION: CYANOSIS American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
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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: | flavoring agents |
| Recommendation for isobutyl mercaptan usage levels up to: | | | not for fragrance use.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (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: 18 |
| Click here to view publication 18 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.10000 | 5.00000 |
| beverages(nonalcoholic): | 0.10000 | 5.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | 0.10000 | 5.00000 |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | 0.10000 | 5.00000 |
| fruit ices: | - | - |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | 0.10000 | 5.00000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | 0.10000 | 5.00000 |
| milk products: | 0.10000 | 5.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 3000.00000 | 10000.00000 |
| snack foods: | - | - |
| soft candy: | 0.10000 | 5.00000 |
| soups: | 0.10000 | 5.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | 0.10000 | 5.00000 |
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 |
Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species View page or View pdf |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 513-44-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10558 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2347 |
| WGK Germany: | 3 |
| | 2-methylpropane-1-thiol |
| Chemidplus: | 0000513440 |
| RTECS: | TZ7630000 for cas# 513-44-0 |
References:
Other Information:
Potential Blenders and core components note
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| For Odor |
| alliaceous |
| | ferula assa-foetida gum oil | FL/FR |
| | methyl furfuryl disulfide | FL/FR |
| chocolate |
| 2,4,5- | trimethyl thiazole | FL/FR |
| earthy |
| 1- | octen-3-ol | FL/FR |
| ethereal |
| | ethyl pyruvate | FL/FR |
| 5- | methyl-5-hexen-2-one | FL/FR |
| fruity |
| | hexanal propylene glycol acetal | FL/FR |
| 2- | pentyl furan | FL/FR |
| | tropical thiazole | FL/FR |
| green |
| | cortex pyridine | FL/FR |
| | ethyl (E)-2-hexenoate | FL/FR |
| | geranium thiazole | FL/FR |
| (Z)-4- | heptenal | FL/FR |
| (Z)-3- | hexen-1-yl (E)-crotonate | FL/FR |
| (Z)-3- | hexen-1-yl formate | FL/FR |
| (Z)-3- | hexen-1-yl lactate | FL/FR |
| (Z)-3- | hexen-1-yl phenyl acetate | FL/FR |
| (Z)-3- | hexen-1-yl pyruvate | FL/FR |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| 4- | hexenol | FL/FR |
| | hexyl hexanoate | FL/FR |
| | melon nonenoate | FL/FR |
| 2,6- | nonadien-1-ol | FL/FR |
| 2- | octen-1-ol | FL/FR |
| 1- | penten-3-ol | FL/FR |
| melon |
| (Z)-6- | nonen-1-ol | FL/FR |
| minty |
| iso | propyl tiglate | FL/FR |
| | hazelnut pyrazine | FL/FR |
| nutty |
| 2- | acetyl-3-methyl pyrazine | FL/FR |
| 4,5- | dimethyl-2-ethyl-3-thiazoline | FL/FR |
| 2- | methyl thio-3,5 or 6-methyl pyrazine | FL/FR |
| 2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| | vinyl sulfurol | FL/FR |
| spicy |
| | ethyl vinyl ketone | FL/FR |
| sulfurous |
| | benzothiazole | FL/FR |
| | dimethyl disulfide | FL/FR |
| | dimethyl sulfide | FL/FR |
| | grapefruit menthane | FL/FR |
| | lychee mercaptan acetate | FL/FR |
| | methyl 3-(methyl thio) propionate | FL/FR |
| 2- | methyl 5-(methyl thio) furan | FL/FR |
| 3-( | methyl thio) hexanol | FL/FR |
| 1- | furfuryl pyrrole | FL/FR |
| | mesityl oxide | FL/FR |
| | methional | FL/FR |
| | tetrahydrofurfuryl alcohol | FL/FR |
| waxy |
| | methyl octanoate | FL/FR |
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| For Flavor |
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| No flavor group found for these |
| (E)- | aconitic acid | FL |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline | FL |
| 3,6- | diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri | FL |
| | diisopropyl sulfide | FL |
| 2- | ethyl-4,5-dimethyl oxazole | FL |
| (Z)-3- | hexen-1-yl (E)-crotonate | FL/FR |
| (E)-4- | hexenal | FL |
| 2- | hexenal | FL |
| 2- | methyl thiazole | FL |
| 4-( | methyl thio) butanol | FL |
| 2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| 2- | methyl-5-methoxythiazole | FL |
| 4- | pentenyl isothiocyanate | FL |
| 2-iso | propyl-3-(methyl thio) pyrazine | FL |
| alliaceous |
| | cyclopentyl mercaptan | FL |
| | ferula assa-foetida gum oil | FL/FR |
| 2- | methyl thioacetaldehyde | FL |
| 3- | tetrahydrothiophenone | FL |
| | tropical thiazole | FL/FR |
| coffee |
| | methyl furfuryl disulfide | FL/FR |
| ethereal |
| 5- | methyl-5-hexen-2-one | FL/FR |
| fatty |
| (E,E)-2,4- | heptadienal | FL |
| 2- | octen-1-ol | FL/FR |
| (E)-2- | octenoic acid | FL |
| fruity |
| | ethyl (E)-2-hexenoate | FL/FR |
| | hexanal propylene glycol acetal | FL/FR |
| | hexyl hexanoate | FL/FR |
| green |
| | cortex pyridine | FL/FR |
| | dihydroxyacetophenone (mixed isomers) | FL |
| | geranium thiazole | FL/FR |
| (Z)-4- | heptenal | FL/FR |
| (E)-2- | heptenal | FL |
| (Z)-3- | hexen-1-yl formate | FL/FR |
| (Z)-3- | hexen-1-yl lactate | FL/FR |
| (Z)-3- | hexen-1-yl phenyl acetate | FL/FR |
| (Z)-3- | hexen-1-yl pyruvate | FL/FR |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| | melon nonenoate | FL/FR |
| | methyl octanoate | FL/FR |
| 3-(5- | methyl-2-furyl) butanal | FL |
| 2,6- | nonadien-1-ol | FL/FR |
| 2,4- | octadienal | FL |
| 4- | penten-1-yl acetate | FL |
| 1- | penten-3-ol | FL/FR |
| 2- | pentyl furan | FL/FR |
| 2- | propyl pyrazine | FL |
| iso | propyl tiglate | FL/FR |
| | propylene glycol acetone ketal | FL |
| juicy |
| | lychee mercaptan acetate | FL/FR |
| malty |
| | yeast thiazoline | FL |
| meaty |
| | benzothiazole | FL/FR |
| 3- | mercapto-3-methyl butanol | FL |
| metallic |
| 4- | hexenol | FL/FR |
| 3-( | methyl thio) hexanol | FL/FR |
| mushroom |
| 1- | octen-3-ol | FL/FR |
| musty |
| 2- | ethoxythiazole | FL |
| | hazelnut pyrazine | FL/FR |
| 2- | methyl 5-(methyl thio) furan | FL/FR |
| nutty |
| 2- | acetyl-3-methyl pyrazine | FL/FR |
| 3,5- | diethyl-2-methyl pyrazine | FL |
| 4,5- | dimethyl-2-ethyl-3-thiazoline | FL/FR |
| 2- | methyl thio-3,5 or 6-methyl pyrazine | FL/FR |
| | tetrahydrofurfuryl alcohol | FL/FR |
| 2,4,5- | trimethyl thiazole | FL/FR |
| | vinyl sulfurol | FL/FR |
| onion |
| | methyl propyl disulfide | FL |
| 2- | methyl-1,3-dithiolane | FL |
| | propyl thioacetate | FL |
| potato |
| | mesityl oxide | FL/FR |
| roasted |
| | ethyl 3-(furfuryl thio) propionate | FL |
| rummy |
| | ethyl pyruvate | FL/FR |
| spicy |
| | ethyl vinyl ketone | FL/FR |
| | jalapeno oleoresin | FL |
| sulfurous |
| | dimethyl disulfide | FL/FR |
| | dimethyl sulfide | FL/FR |
| | furfuryl methyl sulfide | FL |
| | grapefruit menthane | FL/FR |
| | methyl 2-methyl-3-furyl disulfide | FL |
| | methyl benzyl disulfide | FL |
| | methyl thiomethyl butyrate | FL |
| | potato butanone | FL |
| 2,4,6- | trithiaheptane 10% in triacetin | FL |
| tomato |
| | methional | FL/FR |
| tropical |
| 3- | mercaptohexyl butyrate | FL |
| | psidium guajava fruit | FL |
| vegetable |
| 1- | furfuryl pyrrole | FL/FR |
| | methyl 3-(methyl thio) propionate | FL/FR |
| | radish isothiocyanate | FL |
| waxy |
| (Z)-6- | nonen-1-ol | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| iso | butane thiol | | 1-iso | butanethiol | | iso | butanethiol | | iso | butyl thiol | | iso | butylmercaptan | | 2- | methyl propane-1-thiol | | 2- | methyl-1-propane thiol | | 2- | methyl-1-propanethiol | | 2- | methylpropane-1-thiol | | 2- | methylpropanethiol | | | propanethiol, 2-methyl- | | 1- | propanethiol, 2-methyl- |
Articles:
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