4-mercapto-4-methyl-2-pentanol
(+/-)-4-mercapto-4-methyl-2-pentanol
Identification
| Name | 4-mercapto-4-methyl-2-pentanol |
| IUPAC | 4-methyl-4-sulfanylpentan-2-ol |
| CAS Number | 31539-84-1 |
| FDA UNII | TG884YY7A6 |
| Molecular Formula | C6 H14 O S |
| Molecular Weight | 134.24178000 |
| MDL Number | MFCD10688294 |
| Nikkaji Number | J935.739D |
Regulatory
| 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 |
| 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 |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| 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 | 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 |
| baked goods | 0.02000 |
| beverages(nonalcoholic) | 0.01000 |
| beverages(alcoholic) | 0.02000 |
| breakfast cereal | 0.02000 |
| cheese | - |
| chewing gum | 0.02000 |
| condiments / relishes | - |
| confectionery froastings | 0.01000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.01000 |
| fruit ices | 0.01000 |
| gelatins / puddings | 0.01000 |
| granulated sugar | 0.02000 |
| gravies | - |
| hard candy | 0.01000 |
| imitation dairy | - |
| instant coffee / tea | 0.01000 |
| jams / jellies | 0.01000 |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 0.01000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 10.00000 |
| snack foods | 0.02000 |
| soft candy | 0.02000 |
| soups | - |
| sugar substitutes | 0.10000 |
| sweet sauces | 0.01000 |
| Dairy products, excluding products of category 02.0 (01.0) | 0.01000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 0.01000 |
| 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) | 0.02000 |
| Bakery wares (07.0) | 0.02000 |
| Meat and meat products, including poultry and game (08.0) | 0.01000 |
| 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 |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 10.00000 |
| 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) | 0.02000 |
| Ready-to-eat savouries (15.0) | 0.02000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
Axxence Aromatic GmbH
We bring nature to your flavour
Dedicated to provide the best possible quality and supply service of natural aroma ingredients.
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...
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Excellentia International
Ingredients by Nature
Exceptional quality and excellence in meeting our customers requirements.
Lluch Essence S.L.
A family company dedicated to sales and distribution
Flexibility, availability, price and quality.
Robinson Brothers Limited
Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
R C Treatt and Co Ltd
Innovative ingredient solutions
World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.