tert-amyl mercaptan
2-methybutane-2-thiol

Supplier Sponsors

Name: 2-methylbutane-2-thiol CAS Number: 1679-09-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 216-843-4 FDA UNII: 26IU670827 Nikkaji Web: J43.548A MDL: MFCD00004858 XlogP3-AA: 2.00 (est) Molecular Weight: 104.21564000 Formula: C5 H12 S NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Substance no longer supported by Industry (EFSA, 2011ai). 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   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.80900 to 0.81500 @ 25.00 °C. Pounds per Gallon - (est).: 6.732 to 6.782 Refractive Index: 1.43200 to 1.43800 @ 20.00 °C. Boiling Point: 99.00 to 100.00 °C. @ 760.00 mm Hg Vapor Pressure: 49.419998 mmHg @ 25.00 °C. (est) Flash Point: 30.00 °F. TCC ( -1.11 °C. ) logP (o/w): 2.630 Soluble in:   alcohol   water, 645.2 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl mercaptan amyl mercaptan isoamyl mercaptan sec-amyl mercaptan benzyl mercaptan buchu mercaptan butyl mercaptan isobutyl mercaptan tert-butyl mercaptan cetyl mercaptan cyclohexyl mercaptan cyclopentyl mercaptan decyl mercaptan dodecyl mercaptan 2-ethyl hexyl mercaptan ethyl mercaptan ethylene mercaptan furfuryl mercaptan grapefruit mercaptan heptyl mercaptan hexyl mercaptan methyl mercaptan 2-naphthyl mercaptan nonyl mercaptan octyl mercaptan peach mercaptan 1-phenethyl mercaptan 2-phenethyl mercaptan phenyl mercaptan prenyl mercaptan propyl mercaptan isopropyl mercaptan 2-thienyl mercaptan 3-thienyl mercaptan tridecyl mercaptan undecyl mercaptan   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers:   None found   Safety Information:   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 [sex: M (6/group)] > 5000 mg/kg (Elf Atochem, 1977) oral-rat LDLo 5000 mg/kg BEHAVIORAL: TREMOR BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA National Technical Information Service. Vol. OTS0571997 Dermal Toxicity: skin-rat LD50 > 2000 mg/kg National Technical Information Service. Vol. OTS0571997 Inhalation Toxicity: inhalation-rat LC > 20000 gm/m3/1H BEHAVIORAL: ATAXIA National Technical Information Service. Vol. OTS0571997   Safety in Use Information: Category: flavoring agents Recommendation for tert-amyl mercaptan usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.15 (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):1679-09-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :15511 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1111 WGK Germany:3 2-methylbutane-2-thiol Chemidplus:0001679090 RTECS:EK6570500 for cas# 1679-09-0   References:   2-methylbutane-2-thiol NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 1679-09-0 Pubchem (cid): 15511 Pubchem (sid): 134981358   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: 2930.90.5050 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   cheese Search PMC Picture   Synonyms: tert- amyl mercaptan   butane-2-thiol, 2-methyl- 2- butanethiol, 2-methyl- 2- methybutane-2-thiol 2- methyl butane-2-thiol 2- methyl-2-butane thiol 2- methyl-2-butanethiol 2- methylbutane-2-thiol 2-tert- pentyl mercaptan tert- pentyl mercaptan   Articles:   None found yet. Try the PubMed Search.

Notes: None found

Please share your Comments.
Email Address:
Top of Page Home