4-methoxy-2-methyl butane thiol
4-methoxy-2-methyl-2-butanethiol
Identification
| Name | 4-methoxy-2-methyl butane thiol |
| IUPAC | 4-methoxy-2-methylbutane-2-thiol |
| CAS Number | 94087-83-9 |
| EINECS | 301-977-9 |
| FDA UNII | X72J2YFL9Y |
| Molecular Formula | C6 H14 O S |
| Molecular Weight | 134.24178000 |
| Nikkaji Number | J368.082G |
| CoE Number | 12145 |
Regulatory
| JECFA Food Flavoring | 548 4-methoxy-2-methyl-2-butanethiol |
| DG SANTE Food Flavourings | 12.145 4-methoxy-2-methylbutane-2-thiol |
| FEMA Number | 3785 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 94087-83-9 ; 4-METHOXY-2-METHYL-2-BUTANETHIOL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.90700 to 0.92300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.547 to 7.680 |
| Refractive Index | 1.44500 to 1.45500 @ 20.00 °C. |
| Boiling Point | 159.00 to 160.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 3.305000 mmHg @ 25.00 °C. (est) |
| Flash Point | 120.00 °F. TCC ( 48.89 °C. ) |
| logP (o/w) | 1.825 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 0.10 % in triacetin. at 0.10 % in propylene glycol. blackcurrant; characteristic sulphur note of blackcurrant
|
| Taste Description |
at 0.10 - 0.40 ppm. black currant
|
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 4-methoxy-2-methyl butane thiol usage levels up to | 0.0100 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.80 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 7 (μg/person/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | 0.01000 |
| beverages(alcoholic) | 0.01000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.02000 |
| condiments / relishes | - |
| confectionery froastings | 0.00100 |
| egg products | - |
| fats / oils | - |
| fish products | 0.00100 |
| frozen dairy | 0.00010 |
| fruit ices | 0.02000 |
| gelatins / puddings | 0.00010 |
| granulated sugar | - |
| gravies | 0.02000 |
| hard candy | 0.02000 |
| imitation dairy | 0.00010 |
| instant coffee / tea | 0.00100 |
| jams / jellies | 0.00100 |
| meat products | 0.02000 |
| milk products | 0.00100 |
| nut products | - |
| other grains | - |
| poultry | 0.00100 |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.00100 |
| snack foods | - |
| soft candy | 0.02000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 0.00100 |
| Dairy products, excluding products of category 02.0 (01.0) | 0.00100 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 0.02000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.01000 |
| Confectionery (05.0) | 0.02000 |
| Chewing gum (05.3) | 0.02000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.00010 |
| Bakery wares (07.0) | 0.00010 |
| Meat and meat products, including poultry and game (08.0) | 0.02000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.00100 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.02000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.01000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.01000 |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
Augustus Oils Ltd
The Premier Supplier
Augustus Oils Ltd, in harmony with nature - to present it at its best...
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 Molecul...
Charkit Chemical Corporation
The Specialty Chemical Specialists
Explore this website to discover the products and services that Charkit provides for your industry and please contact us directly to find out how we can be of service to you.
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
FRUTAROM USA INC,
Flavor & Specialty Ingredients
Your preferred partner for flavour and fragrance success.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Robinson Brothers Limited
Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
Taytonn ASCC Pte Ltd
Supplying Asia Pacific
We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
R C Treatt and Co Ltd
Innovative ingredient solutions
World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.