methyl butyl sulfide
2-thiahexane

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  628-29-5 Butyl Methyl Sulfide

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  B0729 Butyl Methyl Sulfide >98.0%(GC)
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  R C Treatt and Co Ltd

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  n-Butyl methyl sulphide

CAS Number: 628-29-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 211-034-2 FDA UNII: 2N5IMB9XAP Nikkaji Web: J44.104J MDL: MFCD00015256 XlogP3-AA: 2.10 (est) Molecular Weight: 104.21564000 Formula: C5 H12 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: 12.152 methyl butyl sulfide   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.83900 to 0.84500 @ 25.00 °C. Pounds per Gallon - (est).: 6.981 to 7.031 Refractive Index: 1.44200 to 1.44800 @ 20.00 °C. Boiling Point: 123.00 °C. @ 760.00 mm Hg Vapor Pressure: 16.629000 mmHg @ 25.00 °C. (est) Flash Point: 69.00 °F. TCC ( 20.56 °C. ) logP (o/w): 2.506 (est) Soluble in:   alcohol   water, 1028 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: sulfurous sulfurous garlic onion vegetable Odor Description:at 0.01 % in propylene glycol. sulfurous garlic onion vegetable Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Butyl Methyl Sulfide R C Treatt & Co Ltd n-Butyl methyl sulphide Santa Cruz Biotechnology For experimental / research use only. Methyl Butyl Sulfide ≥98% Sigma-Aldrich: Aldrich For experimental / research use only. Butyl Methyl Sulfide sds TCI AMERICA For experimental / research use only. Butyl Methyl Sulfide >98.0%(GC) sds Tengzhou Jitian Aroma Chemiclal Methyl Butyl Sulfide   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 methyl butyl sulfide usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0024 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (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): 0.20000 1.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.10000 0.50000 Edible ices, including sherbet and sorbet (03.0): 0.20000 1.00000 Processed fruit (04.1): 0.20000 1.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 0.20000 1.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.10000 0.50000 Bakery wares (07.0): 0.20000 1.00000 Meat and meat products, including poultry and game (08.0): 0.10000 0.20000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.10000 0.20000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.10000 0.50000 Foodstuffs intended for particular nutritional uses (13.0): 0.20000 1.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.10000 0.30000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.20000 1.00000 Ready-to-eat savouries (15.0): 0.40000 2.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.10000 0.50000   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 Substance Registry Services (TSCA):628-29-5 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :12339 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1993 1-methylsulfanylbutane Chemidplus:0000628295   References:   1-methylsulfanylbutane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 12339 Pubchem (sid): 134975826   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 HMDB (The Human Metabolome Database): Search Export Tariff Code: 2930.20.9050 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor alliaceous methyl furfuryl disulfide FL/FR spicy ethyl vinyl ketone FL/FR sulfurous ferula assa-foetida absolute FL/FR 2- methyl 5-(methyl thio) furan FL/FR 2-( methyl thio) phenol FL/FR onion oil FL/FR 4- tropical oxathiane FL/FR For Flavor No flavor group found for these allyl methyl trisulfide FL allyl propyl disulfide FL allyl propyl trisulfide FL diethyl trisulfide FL dimethyl tetrasulfide FL dipropyl sulfide FL 2- heptane thiol FL 4-( methyl thio) butanol FL alliaceous alliaceous allyl mercaptan FL allyl thiopropionate FL benzyl mercaptan FL cyclopentyl mercaptan FL 2- methyl thioacetaldehyde FL coffee methyl furfuryl disulfide FL/FR fruity 4- tropical oxathiane FL/FR garlic allyl methyl sulfide FL garlic oleoresin FL meaty (R,S)-2- mercapto-3-butanol FL 2-( methyl thio) phenol FL/FR ortho- thiocresol FL musty 2- methyl 5-(methyl thio) furan FL/FR onion methyl propyl trisulfide FL roasted ethyl 3-(furfuryl thio) propionate FL seafood 1,4- dithiane FL spicy ethyl vinyl ketone FL/FR sulfurous allyl sulfide FL diallyl polysulfides FL diallyl tetrasulfide FL ethyl methyl sulfide FL S- ethyl thioacetate FL ferula assa-foetida absolute FL/FR furfuryl methyl sulfide FL furfuryl thiopropionate FL methyl 2-methyl-3-furyl disulfide FL methyl 4-(methyl thio) butyrate FL onion oil FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   beer - 0.001 mg/kg Search PMC Picture   Synonyms:   butane, 1-(methylthio)-   butyl methyl sulfide N- butyl methyl sulfide   butyl methyl sulphide   butylmethyl sulfide   methyl butyl sulphide   methyl N-butyl sulfide 1-( methyl thio) butane 1- methyl thiobutane   methylbutyl sulfide 1-( methylsulfanyl)butane 1- methylsulfanylbutane 1-( methylthio)butane   methylthiobutane 1- methylthiobutane   sulfide, butyl methyl 2- thiahexane   Articles:   None found yet. 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Notes: None found