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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Organoleptic Properties:
| Odor Description:sulfury |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 12 - Extremely flammable.
R 36/37 - Irritating to eyes and respiratory system.
R 41 - Risk of serious damage to eyes.
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 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
gavage-rat LD50 4729 mg/kg
(Fairchild & Stokinger, 1958)
intraperitoneal-rat LD50 590 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
BEHAVIORAL: COMA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
gavage-rat LD50 [sex: M,F] 8400 mg/kg
(Phillips Petroleum Company, 1990a)
oral-rat LD50 4729 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: COMA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
inhalation-rat LC50 22200 ppm/4H
BEHAVIORAL: ATAXIA
BEHAVIORAL: MUSCLE WEAKNESS
LUNGS, THORAX, OR RESPIRATION: CYANOSIS
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
inhalation-mouse LC50 16500 ppm/4H
BEHAVIORAL: MUSCLE WEAKNESS
BEHAVIORAL: ATAXIA
LUNGS, THORAX, OR RESPIRATION: CYANOSIS
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
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Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for tert-butyl mercaptan usage levels up to: | | | not for fragrance use.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 78 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
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| 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...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
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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
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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
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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
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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
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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
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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
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| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):75-66-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6387 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2347 |
| WGK Germany:3 |
| 2-methylpropane-2-thiol |
| Chemidplus:0000075661 |
| RTECS:75-66-1 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| tert- | butane thiol | | tert- | butanethiol | | tert- | butyl thiol | | tert- | butylmercaptan | | tert- | butylthiol | | 1,1- | dimethylethanethiol | | 2- | methyl propane-2-thiol | | 2- | methyl-2-propane thiol | | 2- | methyl-2-propanethiol | | 2- | methyl-2-propanthiol | | 2- | methylpropane-2-thiol | | | propane-2-thiol, 2-methyl- | | 2- | propanethiol, 2-methyl- |
Articles:
| PubMed:Direct Synthesis of Highly Conductive tert-Butylthiol-Capped CuInS2 Nanocrystals. |
| PubMed:Ligand exchange on colloidal CdSe nanocrystals using thermally labile tert-butylthiol for improved photocurrent in nanocrystal films. |
| PubMed:Improving open circuit potential in hybrid P3HT:CdSe bulk heterojunction solar cells via colloidal tert-butylthiol ligand exchange. |
| PubMed:A cataluminescence gas sensor based on nanosized V2O5 for tert-butyl mercaptan. |
| PubMed:SH-stretching vibrational spectra of ethanethiol and tert-butylthiol. |
| PubMed:Conformationally specific vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of alkanethiols: structure and ionization of conformational isomers of ethanethiol, isopropanethiol, 1-propanethiol, tert-butanethiol, and 1-butanethiol. |
| PubMed:Mechanistic study on adsorptive removal of tert-butanethiol on Ag-Y zeolite under ambient conditions. |
| PubMed:Impact of Storage Conditions on the Stability of Volatile Sulfur Compounds in Sampling Bags. |
| PubMed:Direct spectroscopic evidence of ultrafast electron transfer from a low band gap polymer to CdSe quantum dots in hybrid photovoltaic thin films. |
| PubMed:Novel semi-random and alternating copolymer hybrid solar cells utilizing CdSe multipods as versatile acceptors. |
| PubMed:Community health assessment following mercaptan spill: Eight Mile, Mobile County, Alabama, September 2012. |
| PubMed:Stability of volatile sulfur compounds (VSCs) in sampling bags - impact of temperature. |
| PubMed:Simultaneous determination of total and extracellular concentrations of the amino acid neurotransmitters in cat visual cortex by microbore liquid chromatography and electrochemical detection. |
| PubMed:Fmoc-based synthesis of peptide thioesters for native chemical ligation employing a tert-butyl thiol linker. |
| PubMed:Detection and characterization of a transport system mediating cysteamine entry into human fibroblast lysosomes. Specificity for aminoethylthiol and aminoethylsulfide derivatives. |
| PubMed:Isocratic HPLC assay with electrochemical detection of free gamma-aminobutyric acid in cerebrospinal fluid. |
| PubMed:Photoelectron spectroscopy and thermochemistry of the peroxyacetate anion. |
| PubMed:Synthesis and biological evaluation of gallium polyaminothiols (PAT). |
| PubMed:Chromatographic methods for determination of S-substituted cysteine derivatives--a comparative study. |
| PubMed:Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. |
| PubMed:Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices. |
| PubMed:A polyethylene glycol copolymer for carrying and releasing multiple copies of cysteine-containing peptides. |
| PubMed:Reaction of organic nitrate esters and S-nitrosothiols with reduced flavins: a possible mechanism of bioactivation. |
| PubMed:Determination of trace level gamma-aminobutyric acid using an improved OPA pre-column derivatization and on-column preconcentration capillary liquid chromatography with electrochemical detection. |
| PubMed:Procedure for the sample preparation and handling for the determination of amino acids, monoamines and metabolites from microdissected brain regions of the rat. |
| PubMed:Effect of trimethyltin on amino acid concentrations in different regions of the mouse brain. |
| PubMed:Determination of baclofen and alpha-baclofen in rat liver homogenate and human urine using solid-phase extraction, o-phthalaldehyde-tert.-butyl thiol derivatization and high-performance liquid chromatography with amperometric detection. |
| PubMed:Rapid method for micro-analysis of endogenous amino acid neurotransmitters in brain perfusates in the rat by isocratic HPLC-EC. |
| PubMed:Targeting the cerebrovascular large neutral amino acid transporter (LAT1) isoform using a novel disulfide-based brain drug delivery system. |
| PubMed:Highly selective palladium catalyzed kinetic resolution and enantioselective substitution of racemic allylic carbonates with sulfur nucleophiles: asymmetric synthesis of allylic sulfides, allylic sulfones, and allylic alcohols. |
| PubMed:Extracellular perfusion of rat brain nuclei using microdialysis: a method for studying differential neurotransmitter release in response to neurotoxins. |
| PubMed:HPLC of S-Alk(en)yl-L-cysteine Derivatives in Garlic including Quantitative Determination of (+)-S-Allyl-L-cysteine Sulfoxide (Alliin). |
| PubMed:A new efficient enantioselective synthesis of (+)-cis-2-methyl-4-propyl-1,3-oxathiane, a valuable ingredient for the aroma of passion fruit. |
| PubMed:Surface microscopic structure and electrochemical rectification of a branched alkanethiol self-assembled monolayer. |
| PubMed:Inter- and intramolecular pathways for the formation of tetrahydrofurans from beta-(Phosphatoxy)alkyl radicals. Evidence for a dissociative mechanism |
| PubMed:High-performance liquid chromatographic determination of baclofen in human plasma. |
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3D/inchi