Articles:
2-butanethiol
Notes:
None found
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 News Product(s): 10072 2-Butanethiol
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. 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. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 02-45430 2-BUTANETHIOL
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W0201 *2-BUTANETHIOL
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): B0686 sec-Butyl Mercaptan >93.0%(GC)
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| CAS Number: | 513-53-1 |  3D/inchi
|
| Other(deleted CASRN): | 91840-99-2 | |
| ECHA EINECS - REACH Pre-Reg: | 208-165-2 | |
| FDA UNII: | Y2D731QBYN | |
| Nikkaji Web: | J2.622K | |
| Beilstein Number: | 1718766 | |
| MDL: | MFCD00004865 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 90.18870000 | |
| Formula: | C4 H10 S | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (R)-2-butane thiol | |
| (S)-2-butane thiol | ||
| EFSA/JECFA Comments: | Racemate (EFFA, 2010a). | |
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: | 12.104 butane-2-thiol |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.82600 to 0.83200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.873 to 6.923 |
| Refractive Index: | 1.43100 to 1.43700 @ 20.00 °C. |
| Boiling Point: | 84.60 to 85.20 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 80.700000 mmHg @ 25.00 °C. |
| Flash Point: | 70.00 °F. TCC ( 21.11 °C. ) |
| logP (o/w): | 2.180 |
| Soluble in: | |
| alcohol | |
| water, 1320 mg/L @ 20 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | sulfurous |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Beijing Lys Chemicals |
| 2-Butanethiol |
| Chevron Phillips |
| sec-Butyl Mercaptan |
| DeLong Chemicals America |
| 2-Butanethiol, Kosher |
| EMD Millipore |
| For experimental / research use only. |
| 2-Butanethiol |
| Penta International |
| 2-BUTANETHIOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-Butanethiol |
| Synerzine |
| *2-BUTANETHIOL |
| TCI AMERICA |
| For experimental / research use only. |
| sec-Butyl Mercaptan >93.0%(GC) |
| Tengzhou Jitian Aroma Chemiclal |
| 2-Butyl mercaptan |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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: | |
|
gavage-rat LD50 5176 mg/kg (Elf Atochem, 1981a) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2-butane thiol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.18 (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 (05.0): | - | - | |
| 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): | 513-53-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10560 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2347 |
| WGK Germany: | 3 |
| butane-2-thiol | |
| Chemidplus: | 0000513531 |
References:
| butane-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 513-53-1 |
| Pubchem (cid): | 10560 |
| Pubchem (sid): | 134978390 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: grade: 95%. | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| beer - up to 0.0002 mg/kg Search PMC Picture |
Synonyms:
| sec- | butane thiol |
| butane-2-thiol | |
| 2- | butanethiol |
| sec- | butanethiol |
| 2- | butyl mercaptan |
| sec- | butyl mercaptan |
| sec- | butyl thioalcohol |
| sec- | butyl thiol |
| mercaptan C4 | |
| 2- | mercaptobutane |
| 1- | methyl-1-propane thiol |
| 1- | methyl-1-propanethiol |