alpha-benzylidene methional
2-(methylthiomethyl)-3-phenylpropenal

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  BOC Sciences

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  CODE103762 CODE103762
  Product(s):
  65887-08-3 2-(Methylthiomethyl)-3-phenylpropenal

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  Penta International Corporation

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  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  Product(s):
  13-70800 2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL

Name: (E)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal CAS Number: 65887-08-3 3D/inchi % from: 87.00% FDA UNII: XF4D8W6PRJ Nikkaji Web: J1.539.985F MDL: MFCD01736617 XlogP3-AA: 2.30 (est) Molecular Weight: 192.28084000 Formula: C11 H12 O S NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (Z)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal CAS Number: 1374790-21-2 3D/inchi % from: 13.00% FDA UNII: KRO00NB0OL XlogP3-AA: 2.30 (est) Molecular Weight: 192.28084000 Formula: C11 H12 O S NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 505 2-(methylthiomethyl)-3-phenylpropenal DG SANTE Food Flavourings: 12.087 2-(methylthiomethyl)-3-phenylpropenal FEMA Number: 3717 2-(methylthiomethyl)-3-phenylpropenal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 65887-08-3 ; 2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL   Physical Properties: Appearance: yellow clear viscous liquid (est) Assay: 98.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 1.08000 to 1.08500 @ 25.00 °C. Pounds per Gallon - (est).: 8.987 to 9.028 Refractive Index: 1.62200 to 1.63200 @ 20.00 °C. Boiling Point: 87.00 °C. @ 13.00 mm Hg Boiling Point: 151.00 °C. @ 3.80 mm Hg Flash Point: 372.00 °F. TCC ( 188.80 °C. ) (est) logP (o/w): 3.391 (est) Soluble in:   alcohol   fats   water, 385.7 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green green weedy broccoli bean green bean Odor Description:at 0.10 % in dipropylene glycol. green weedy broccoli green bean vegetable sauerkraut kimchi cabbage onion green onion Odor Description:at 1.00 %. vegetative sauerkraut, kimchi, cabbage, soy beans, green onion nuances Mosciano, Gerard, (2009) Flavor Type: vegetable vegetable sauerkraut kimchi cabbage onion green onion Taste Description: at 1.00 ppm. Vegetative sauerkraut, kimchi, cabbage, soy beans, green onion nuances Mosciano, Gerard, (2009) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 2-(Methylthiomethyl)-3-phenylpropenal DeLong Chemicals America 2-(Methylthiomethyl)-3-phenylpropenal, Kosher Parchem alpha-benzylidene methional Penta International 2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL   Safety Information:   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: flavoring agents Recommendation for alpha-benzylidene methional usage levels up to:   not for fragrance use.   NOEL (No Observed Effect Level): 1.4 (mg/kg bw per day) 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: 13 Click here to view publication 13   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - 1.00000 hard candy: - - imitation dairy: - 0.50000 instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - 1.00000 other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - 0.50000 seasonings / flavors: - - snack foods: - - soft candy: - - soups: - 1.00000 sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :16204499 National Institute of Allergy and Infectious Diseases:Data (E)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal Chemidplus:0065887083 (Z)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal Chemidplus:1374790212   References:   (E)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal NIST Chemistry WebBook: Search Inchi Pubchem (cid): 16204499 Pubchem (sid): 135267706   (Z)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal NIST Chemistry WebBook: Search Inchi Pubchem (cid): 20381858 Pubchem (sid): 163643366   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB37166 FooDB: FDB016162 ChemSpider: View FAO: 2-(Methylthiomethyl)-3-phenylpropenal   Potential Blenders and core components note For Odor aldehydic green hexanal FL/FR balsamic spruce needle absolute FL/FR earthy scotch pine needle oil FL/FR scotch pine needle oil estonia FL/FR scotch pine needle oil yugoslavia FL/FR ethereal ethyl acetate FL/FR fatty 5- methyl-5-hexen-2-one FL/FR floral cassie absolute FL/FR geranium oil africa FL/FR styralyl propionate FL/FR fruity 2- nonanone FL/FR strawberry furanone butyrate FL/FR green nerol oxide FL/FR 3,5,5- trimethyl hexanol FL/FR For Flavor No flavor group found for these 2- heptane thiol FL methyl butyl sulfide FL scotch pine needle oil FL/FR scotch pine needle oil estonia FL/FR scotch pine needle oil yugoslavia FL/FR alliaceous alliaceous 2- methyl thioacetaldehyde FL balsamic spruce needle absolute FL/FR cheesy 2- nonanone FL/FR citrus styralyl propionate FL/FR ethereal ethyl acetate FL/FR 5- methyl-5-hexen-2-one FL/FR floral geranium oil africa FL/FR fruity strawberry furanone butyrate FL/FR green nerol oxide FL/FR 3,5,5- trimethyl hexanol FL/FR herbal green hexanal FL/FR spicy cassie absolute FL/FR sulfurous methyl 2-methyl-3-furyl disulfide FL 2- methyl thiophene FL   Potential Uses: FL broccoli FL green FL herbal   wet fields   Occurrence (nature, food, other):note   not found in nature   Synonyms: (Z,E)-2-( methyl thio) methyl-3-phenyl-2-propen-1-al 2-( methyl thio) methyl-3-phenyl-2-propen-1-al cis,trans-2-( methyl thio) methyl-3-phenyl-2-propen-1-al (Z,E)-2-(( methyl thio)methyl)-3-phenyl-2-propen-1-al 2-(( methyl thio)methyl)-3-phenyl-2-propen-1-al cis,trans-2-(( methyl thio)methyl)-3-phenyl-2-propen-1-al (Z,E)-2- methyl thiomethyl-3-phenyl-2-propen-1-al cis,trans-2- methyl thiomethyl-3-phenyl-2-propen-1-al 2-( methyl thiomethyl)-3-phenyl propen-1-al 2-( methyl thiomethyl)-3-phenyl propenal (Z,E)-2-( methyl thiomethyl)-3-phenyl-2-propen-1-al cis,trans-2-( methyl thiomethyl)-3-phenyl-2-propen-1-al (E)-2-( methylsulfanylmethyl)-3-phenylprop-2-enal 2-( methylthiomethyl)-3-phenylpropenal   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring ingredient