3-methyl thiopropionic acid
4-thiapentanoic acid

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  W1855 3-Methylthiopropionic Acid

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  M0811 3-(Methylthio)propionic Acid >98.0%(GC)(T)
  SDS

Name: 3-methylsulfanylpropanoic acid CAS Number: 646-01-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 211-460-9 FDA UNII: F523ALI47D Nikkaji Web: J22.485E MDL: MFCD00059635 XlogP3-AA: 0.40 (est) Molecular Weight: 120.17116000 Formula: C4 H8 O2 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 DG SANTE Food Flavourings: 12.183 3-(methylthio)propionic acid   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.15500 to 1.16100 @ 25.00 °C. Pounds per Gallon - (est).: 9.611 to 9.661 Refractive Index: 1.48500 to 1.49100 @ 20.00 °C. Boiling Point: 244.00 to 247.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.007000 mmHg @ 25.00 °C. (est) Flash Point: 220.00 °F. TCC ( 104.44 °C. ) logP (o/w): 0.458 (est) Soluble in:   alcohol   water   water, 6.737e+004 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Description:sweet sulfurous Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Methylthiopropionic Acid Carbosynth For experimental / research use only. 3-Methylthiopropionic Acid Jinan Enlighten Chemical Technology(Wutong Aroma ) 3-Methyl Thiopropionic Acid Penta International 3-METHYLTHIOPROPIONIC ACID Santa Cruz Biotechnology For experimental / research use only. 3-(Methylthio)propionic acid ≥98% Synerzine 3-Methylthiopropionic Acid TCI AMERICA For experimental / research use only. 3-(Methylthio)propionic Acid >98.0%(GC)(T) sds   Safety Information: Preferred SDS: View   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 3-methyl thiopropionic acid usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.21 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I   Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.   average usage mg/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): 0.40000 2.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.20000 1.00000 Edible ices, including sherbet and sorbet (03.0): 0.40000 2.00000 Processed fruit (04.1): 0.30000 1.50000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 0.40000 2.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.20000 1.00000 Bakery wares (07.0): 0.40000 2.00000 Meat and meat products, including poultry and game (08.0): 0.10000 0.40000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.10000 0.40000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.20000 1.00000 Foodstuffs intended for particular nutritional uses (13.0): 0.40000 2.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.20000 1.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.40000 2.00000 Ready-to-eat savouries (15.0): 1.00000 5.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.20000 1.00000   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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) 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 Flavouring Group Evaluation 91 (FGE.91): 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.08Rev1 (2009) View page or View pdf Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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 Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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 ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :563 National Institute of Allergy and Infectious Diseases:Data 3-methylsulfanylpropanoic acid Chemidplus:0000646015   References:   3-methylsulfanylpropanoic acid NIST Chemistry WebBook: Search Inchi Pubchem (cid): 563 Pubchem (sid): 135027257   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 CHEBI: View CHEMBL: View KEGG (GenomeNet): C08276 HMDB (The Human Metabolome Database): HMDB01527 FooDB: FDB022672 Export Tariff Code: 2930.90.4950 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   asparagus - up to 0.05 mg/kg Search Trop Picture   beer - up to 0.03 mg/kg Search PMC Picture   wine white wine Search Picture   Synonyms: 3-( methyl sulfanyl) propanoic acid 3-( methyl thio) propionic acid 3- methylmercaptopropionic acid 3-( methylsulfanyl)propanoic acid 3-( methylsulfanyl)propionic acid 3- methylsulfanylpropanoic acid 3-( methylthio)propionic acid 3- methylthiopropanoic acid 3- methylthiopropionic acid 3-( methythio)propionic acid   propanoic acid, 3-(methylthio)-   propionic acid, 3-(methylthio)- 4- thiapentanoic acid   Articles:   None found yet. 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Notes: 3-methylthiopropionate is one of the metabolites of methionine (especially of D-methionine) and pharmacokinetics of 3-MTP in urine seems to contribute to the clinicopathological investigation of the liver cirrhosis. (PMID 3997054) [HMDB]