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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95800 to 0.96800 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 7.972 to 8.055
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| Refractive Index: | 1.53200 to 1.55100 @ 20.00 °C.
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| Melting Point: | -15.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 188.00 to 193.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.662000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 135.00 °F. TCC ( 57.22 °C. )
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| logP (o/w): | 2.740 |
| Soluble in: |
| | alcohol | | | oils | | | water, 442.6 mg/L @ 25 °C (est) | | | water, 506 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: solvent |
| solvent spicy woody sawdust |
| Odor Description:at 0.10 % in propylene glycol. toluene solvent spicy woody sawdust |
| solvent spicy pungent woody sawdust |
Odor Description:at 0.10 % in ethyl alcohol. Toluene solvent, spicy, pungent, woody sawdust
Mosciano, Gerard P&F 24, No. 6, 10, (1999) |
| Flavor Type: solvent |
| solvent woody coffee roasted coffee |
Taste Description: at 0.02 - 0.50 ppm. Solventy, woody, roasted coffee
Mosciano, Gerard P&F 24, No. 6, 10, (1999) |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 |
| |
| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00184
oral-rat LD50 891 mg/kg
Pesticide Biochemistry and Physiology. Vol. 1, Pg. 356, 1971.
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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 methyl phenyl sulfide usage levels up to: | | | not for fragrance use.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.40 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) |
| Threshold of Concern: | 540 (μg/person/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: 18 |
| Click here to view publication 18 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.06000 | 1.00000 |
| beverages(nonalcoholic): | 0.20000 | 2.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | 0.01000 | 0.04000 |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | 0.10000 | 1.00000 |
| granulated sugar: | - | - |
| gravies: | 0.10000 | 1.00000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | 0.40000 | 4.00000 |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.50000 | 1.00000 |
| 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...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
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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
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Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
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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
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Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
View page or View pdf
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| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):100-68-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7520 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| methylsulfanylbenzene |
| Chemidplus:0000100685 |
| RTECS:DA6200000 for cas# 100-68-5 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | benzene, (methylthio)- | | | methyl phenyl sulphide | | | methyl phenyl thioether | | | methyl phenylsulfide | | ( | methyl thio) benzene | | | methyl-phenyl sulfide | | | methylphenylsulfide | | ( | methylsulfanyl)benzene | | | methylsulfanylbenzene | | ( | methylthio)benzene | | | phenyl methyl sulfide | | | phenyl thiomethane | | 1- | phenyl-1-thiaethane | | 1- | phenyl-1-thioethane | | | phenylthiomethane | | | sulfide, methyl phenyl | | (1- | thiaethyl) benzene | | (1- | thiaethyl)benzene | | | thioanisol | | | thioanisole |
Articles:
| US Patents:3,952,024 - Furfurylthioacetone |
| PubMed:Synthesis of isotopically labeled 1,3-dithiane. |
| US Patents:Certain 2,5-dimethyl-3-thiopyrazines |
| PubMed:Hypochlorous acid turn-on boron dipyrromethene probe based on oxidation of methyl phenyl sulfide. |
| US Patents:Flavoring agent |
| PubMed:Highly enantioselective oxidation of phenyl methyl sulfide and its derivatives into optically pure (S)-sulfoxides with Rhodococcus sp. CCZU10-1 in an n-octane-water biphasic system. |
| PubMed:Heterometallic cerium(IV) perrhenate, permanganate, and molybdate complexes supported by the imidodiphosphinate ligand [N(i-Pr2PO)2]-. |
| PubMed:High cell density cultivation of Pseudomonas putida strain HKT554 and its application for optically active sulfoxide production. |
| PubMed:The oxidative properties of a manganese(IV) hydroperoxide moiety and its relationships with the corresponding manganese(IV) oxo and hydroxo moieties. |
| PubMed:The use of stable isotope labelling for the analytical chemistry of drugs. |
| PubMed:Diruthenium(II,III) tetramidates as a new class of oxygenation catalysts. |
| PubMed:The effect of solvent on the catalytic properties of microperoxidase-11. |
| PubMed:Resolution of racemic sulfoxides with high productivity and enantioselectivity by a Rhodococcus sp. strain as an alternative to biooxidation of prochiral sulfides for efficient production of enantiopure sulfoxides. |
| PubMed:Synthesis and properties of chiral pyrazolidines derived from (+)-pulegone. |
| PubMed:Synthesis, characterization, and application of vanadium-salan complexes in oxygen transfer reactions. |
| PubMed:Polystyrene bound oxidovanadium(IV) and dioxidovanadium(V) complexes of histamine derived ligand for the oxidation of methyl phenyl sulfide, diphenyl sulfide and benzoin. |
| PubMed:Cyclodextrin inclusion compounds of vanadium complexes: structural characterization and catalytic sulfoxidation. |
| PubMed:Protein engineering of toluene monooxygenases for synthesis of chiral sulfoxides. |
| PubMed:catena-Poly[[chlorido(methyl phenyl sulfide-κS)mercury(II)]-μ-chlorido]. |
| PubMed:Removal of malodorous organic sulfides with molecular oxygen and visible light over metal phthalocyanine. |
| PubMed:Synthesis, characterization, and structures of oxovanadium(V) complexes of Schiff bases of beta-amino alcohols as tunable catalysts for the asymmetric oxidation of organic sulfides and asymmetric alkynylation of aldehydes. |
| PubMed:Synthesis, characterization, reactivity, and catalytic potential of model vanadium(IV, V) complexes with benzimidazole-derived ONN donor ligands. |
| PubMed:Selective synthesis of sulfoxides from sulfides using ultrasound. |
| PubMed:Selective catalytic oxidation of organosulfur compounds with tert-butyl hydroperoxide. |
| PubMed:Effects of the environment on microperoxidase-11 and on its catalytic activity in oxidation of organic sulfides to sulfoxides. |
| PubMed:Fe2+-catalyzed heterolytic RO-OH bond cleavage and substrate oxidation: a functional synthetic non-heme iron monooxygenase system. |
| PubMed:Oxidation of organic sulfides by vanadium haloperoxidase model complexes. |
| PubMed:Enantioselective Sulfoxidation Catalyzed by Vanadium Haloperoxidases. |
| PubMed:Sulfoxidation mechanism of vanadium bromoperoxidase from Ascophyllum nodosum. Evidence for direct oxygen transfer catalysis. |
| PubMed:Reactions of sulfides with S-330, a potential decontaminant of sulfur mustard in formulations. |
| PubMed:Chloroperoxidase-catalyzed enantioselective oxidation of methyl phenyl sulfide with dihydroxyfumaric acid/oxygen or ascorbic acid/oxygen as oxidants. |
| PubMed:Oxidation reactions by prostaglandin cyclooxygenase-hydroperoxidase. |
| PubMed:Deuterium isotope effects during formation of phenols by hepatic monoxygenases. Evidence for an alternative to arene oxide pathway. |
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3D/inchi