Articles:
(+/-)-4-mercapto-4-methyl-2-pentanol
Notes:
Used as a food additive [EAFUS]
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Axxence Aromatic GmbH We bring nature to your flavour Dedicated to provide the best possible quality and supply service of natural aroma ingredients. Axxence Aromatic is entirely dedicated to provide the best possible quality and supply service of natural aroma ingredients to the Flavour & Fragrance Industry worldwide. Email: Service Voice: +49.2822.68561.0 Fax: +49.2822.68561.39 Sustainability Products List: View Product(s): 415810 4-MERCAPTO-4-METHYL-2-PENTANOL 1% IN ET Natural, Kosher
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 31539-84-1 4-Mercapto-4-methyl-2-pentanol
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): TH0520 4-Mercapto-4-methylpentan-2-ol 98% F&F TH0521 4-Mercapto-4-methylpentan-2-ol (1% in TEC)
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Excellentia International Ingredients by Nature Exceptional quality and excellence in meeting our customers requirements. Excellentia International was founded in 2010 through the merger of Excellentia Flavors LLC and Polarome International. Collectively, these companies account for more than one hundred years of industry experience, and are recognized for exceptional quality and excellence in meeting our customers’ requirements. Email: Info Email: Sales Email: Regulatory Voice: 732.749.9840 Our Services Product(s): 4-Mercapto-4-Methyl-2-Pentanol Natural
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): 4-MERCAPTO-4-METHYL-2-PENTANOL 1% ET NAT.
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): TH0520 4-Mercapto-4-methylpentan-2-ol F&F TH0521 4-Mercapto-4-methylpentan-2-ol (1% in TEC)
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 4-Mercapto-4-methylpentan-2-ol Kosher
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| CAS Number: | 31539-84-1 |  3D/inchi
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| FDA UNII: | TG884YY7A6 | |
| Nikkaji Web: | J935.739D | |
| MDL: | MFCD10688294 | |
| XlogP3-AA: | 1.20 (est) | |
| Molecular Weight: | 134.24178000 | |
| Formula: | C6 H14 O S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | (EFFA, 2006). Racemate (59-60 % trans and 29-30 % cis) (EFFA,2013). | |
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: | 1669 (+/-)-4-mercapto-4-methyl-2-pentanol |
| DG SANTE Food Flavourings: | 12.252 4-mercapto-4-methyl-2-pentanol |
| FEMA Number: | 4158 (+/-)-4-mercapto-4-methyl-2-pentanol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 31539-84-1 ; (+/-)-4-MERCAPTO-4-METHYL-2-PENTANOL |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.15400 to 1.15800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.602 to 9.636 |
| Refractive Index: | 1.46300 to 1.46800 @ 20.00 °C. |
| Boiling Point: | 50.00 to 51.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 0.095000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 163.00 °F. TCC ( 72.78 °C. ) |
| logP (o/w): | 1.278 (est) |
| Soluble in: | |
| alcohol | |
| water | |
| water, 3939 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: floral | |
| floral lemon grapefruit | |
| Odor Description: at 0.10 % in propylene glycol. | floral lemon grapefruit |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
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 4-mercapto-4-methyl-2-pentanol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 210 (μg/person/day) | ||
| NOEL (No Observed Effect Level): | 0.7 (mg/kg bw per day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.02000 | 0.10000 | |
| beverages(nonalcoholic): | 0.01000 | 0.05000 | |
| beverages(alcoholic): | 0.02000 | 0.10000 | |
| breakfast cereal: | 0.02000 | 0.10000 | |
| cheese: | - | - | |
| chewing gum: | 0.02000 | 0.10000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.01000 | 0.05000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.01000 | 0.05000 | |
| fruit ices: | 0.01000 | 0.05000 | |
| gelatins / puddings: | 0.01000 | 0.05000 | |
| granulated sugar: | 0.02000 | 0.10000 | |
| gravies: | - | - | |
| hard candy: | 0.01000 | 0.10000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.01000 | 0.05000 | |
| jams / jellies: | 0.01000 | 0.05000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.01000 | 0.05000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 100.00000 | |
| snack foods: | 0.02000 | 0.10000 | |
| soft candy: | 0.02000 | 0.10000 | |
| soups: | - | - | |
| sugar substitutes: | 0.10000 | 0.50000 | |
| sweet sauces: | 0.01000 | 0.05000 | |
| 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): | 0.01000 | 0.05000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 0.01000 | 0.05000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 0.01000 | 0.05000 | |
| Confectionery (05.0): | 0.02000 | 0.10000 | |
| Chewing gum (05.0): | 0.02000 | 0.10000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.02000 | 0.10000 | |
| Bakery wares (07.0): | 0.02000 | 0.10000 | |
| Meat and meat products, including poultry and game (08.0): | 0.01000 | 0.05000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | 0.10000 | 0.50000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 10.00000 | 100.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.01000 | 0.05000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.02000 | 0.10000 | |
| Ready-to-eat savouries (15.0): | 0.02000 | 0.10000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
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 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 | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011) View page or View pdf | |
| Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 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 : | 6429308 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 4-methyl-4-sulfanylpentan-2-ol | |
| Chemidplus: | 0031539841 |
References:
| 4-methyl-4-sulfanylpentan-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6429308 |
| Pubchem (sid): | 135292582 |
| Flavornet: | 31539-84-1 |
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): | HMDB32375 |
| FooDB: | FDB009792 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FL | |
| floral | FR |
Occurrence (nature, food, other): note
| wine Search Picture |
Synonyms:
| mercapto-4-methyl-2-pentanol | |
| (+/-)-4- | mercapto-4-methyl-2-pentanol |
| (±)-4- | mercapto-4-methyl-2-pentanol |
| 4- | mercapto-4-methyl-2-pentanol natural |
| 4- | mercapto-4-methylpentan-2-ol |
| 4- | methyl-4-sulfanylpentan-2-ol |
| pentan-2-ol, 4-mercapto-4-methyl- | |
| 2- | pentanol, 4-mercapto-4-methyl- |