thymol
2-isopropyl-5-methylphenol
Identification
| Name | thymol |
| IUPAC | 5-methyl-2-propan-2-ylphenol |
| CAS Number | 89-83-8 |
| EINECS | 201-944-8 |
| FDA UNII | 3J50XA376E |
| Molecular Formula | C10 H14 O |
| Molecular Weight | 150.22078000 |
| MDL Number | MFCD00002309 |
| Nikkaji Number | J10.606B |
| Beilstein | 1907135 |
| CoE Number | 174 |
| XlogP3 | 3.30 (est) |
Regulatory
| JECFA Food Flavoring | 709 thymol |
| DG SANTE Food Flavourings | 04.006 thymol |
| FEMA Number | 3066 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 89-83-8 ; THYMOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | white crystalline solid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Melting Point | 49.00 to 51.00 °C. @ 760.00 mm Hg |
| Boiling Point | 231.00 to 232.00 °C. @ 760.00 mm Hg, 143.00 to 144.00 °C. @ 50.00 mm Hg |
| Congealing Point | 49.30 °C. |
| Vapor Pressure | 0.038000 mmHg @ 25.00 °C. |
| Flash Point | 216.00 °F. TCC ( 102.22 °C. ) |
| logP (o/w) | 3.300 |
| Shelf Life | 36.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | non-discoloring in most media |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | denaturants |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 176 hour(s) at 20.00 % in dipropylene glycol |
| Odor Description |
at 1.00 % in dipropylene glycol. Spicy, phenolic and thymol with a chemical, medicinal, camphoreous nuance warm, thyme-like, medicinal phenolic, camphoraceous, thyme
|
| Odor sample from | Sigma-Aldrich |
| Taste Description |
Phenolic, medicinal, woody and spicy Thyme, Herbal, Phenolic aromatic, medicinal
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 980 mg/kg |
| Dermal Toxicity | subcutaneous-mouse LD50 243 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nLUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for thymol usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 51.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 160.00 (μg/capita/day) |
| Structure Class | I |
| baked goods | 5.00000 |
| beverages(nonalcoholic) | 2.50000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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