1,4-butane dithiol
1,4-butanedithiol

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  1191-08-8 1,4-Dibutyl Mercaptan

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  Sigma-Aldrich

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  Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
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  W520802 1,4-Butanedithiol, ≥97%, FG
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  1,4-Butanedithiol

Name: butane-1,4-dithiol CAS Number: 1191-08-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 214-728-3 FDA UNII: 7JD227IUMC Nikkaji Web: J43.277F Beilstein Number: 1697080 MDL: MFCD00004906 XlogP3-AA: 1.50 (est) Molecular Weight: 122.25370000 Formula: C4 H10 S2 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: 12.103 butane-1,4-dithiol   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.04100 to 1.04700 @ 25.00 °C. Pounds per Gallon - (est).: 8.662 to 8.712 Refractive Index: 1.52400 to 1.53000 @ 20.00 °C. Melting Point: -53.90 °C. @ 760.00 mm Hg Boiling Point: 105.00 to 106.00 °C. @ 30.00 mm Hg Boiling Point: 195.50 °C. @ 760.00 mm Hg Vapor Pressure: 0.563000 mmHg @ 25.00 °C. (est) Vapor Density: 4.2 ( Air = 1 ) Flash Point: 158.00 °F. TCC ( 70.00 °C. ) logP (o/w): 2.190 Soluble in:   alcohol   water, slightly   water, 1319 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: sulfurous sulfurous meaty Odor Description:at 0.01 % in propylene glycol. sulfurous meaty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 1,4-Dibutyl Mercaptan DeLong Chemicals America 1,4-Butanedithiol M&U International 1,4-BUTANEDITHIOL, Kosher Penta International 1,4-BUTANEDITHIOL Santa Cruz Biotechnology For experimental / research use only. 1,4-Butanedithiol Sigma-Aldrich 1,4-Butanedithiol, ≥97%, FG sds Certified Food Grade Products TCI AMERICA For experimental / research use only. 1,4-Butanedithiol >95.0%(GC)(T) sds United International 1,4-Butanedithiol WholeChem 1,4-Butanedithiol   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xn - Harmful. R 20 - Harmful by inhalation. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. 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.   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 1,4-butane dithiol usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.30 (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):1191-08-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :79148 National Institute of Allergy and Infectious Diseases:Data WISER:UN 2810 WGK Germany:3 butane-1,4-dithiol Chemidplus:0001191088   References:   butane-1,4-dithiol NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 1191-08-8 Pubchem (cid): 79148 Pubchem (sid): 135034810   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: 2930.90.9190 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   beef boiled beef Search PMC Picture   skunk Search PMC Picture   Synonyms:   butane-1,4-dithiol 1,4- butanedithiol 1,4- dibutyl mercaptan 1,4- dimercaptobutane   tetramethylene dithiol   tetramethylenedithiol   Articles:   None found yet. Try the PubMed Search.

Notes: None found