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thymol
General Material Information
| Preferred name | thymol |
| Trivial Name | Thymol |
| Short Description | 2-isopropyl-5-methylphenol |
| Formula | C10 H14 O |
| CAS Number | 89-83-8 |
| FEMA Number | 3066 |
| Flavis Number | 4.006 |
| ECHA Number | 201-944-8 |
| FDA UNII | 3J50XA376E |
| Nikkaji Number | J10.606B |
| Beilstein Number | 1907135 |
| MDL | MFCD00002309 |
| COE Number | 174 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 709 thymol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 89-83-8 ; THYMOL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 5-methyl-2-propan-2-ylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 89-83-8 |
| Pubchem (cid): | 6989 |
| Pubchem (sid): | 134970607 |
| Pherobase: | View |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09908 |
| HMDB (The Human Metabolome Database): | HMDB01878 |
| FooDB: | FDB014795 |
| YMDB (Yeast Metabolome Database): | YMDB01647 |
| Export Tariff Code: | 2907.19.4000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •present in listerine antiseptic •present in bensulfoid lotion •technical, nf, reagent | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 150.22077941895 |
| Melting Point | 49 to 51°C @ 760 mm Hg |
| Boiling Point | 231 to 232°C @ 760 mm Hg |
| Boiling Point | 143 to 144°C @ 50 mm Hg |
| Vapor Pressure | 0.038 mmHg @ 25 °C |
| Flash Point TCC Value | 102.22 °C TCC |
| logP (o/w) | 3.3 |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| paraffin oil | Yes |
| water, 900 mg/L @ 25 °C (exp) | Yes |
| water | No |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, thyme, phenolic, medicinal, camphoreous, spicy, chemical | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 176 hour(s) at 20.00 % in dipropylene glycol |
| Luebke, William tgsc, (1983) | At 1.00 % in dipropylene glycol. herbal thyme phenolic medicinal camphor |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | Spicy, phenolic and thymol with a chemical, medicinal, camphoreous nuance |
| Flavor Type: Phenolic | |
| phenolic, medicinal, woody, spicy | |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | Phenolic, medicinal, woody and spicy |
| Useful in: mint, savory spices, fruity citrus. | Thyme, Herbal, Phenolic |
| General comment | Aromatic, medicinal |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Ajowan, Alpine bouquet, Bouquet, Florida soap, Herbal, Mint, Oregano, Peppermint, Pizza, Spice, Thyme oil white replacer, Windsor soap, Wintergreen, Yew |
| Flavoring purposes | Ajowan |
| Cosmetic purposes | Denaturants, Fragrance, Hair dyeing agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C N - Corrosive, Dangerous for the environment. | |
| R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 34 - Causes burns. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 01/02 - Keep locked up and out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 22 - Do not breath dust. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 38 - In case of insufficient ventlation, wear suitable respiratory equipment. S 45 - In case of accident or if you feel unwell seek medical advice immediately. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Serious eye damage (Category 1), H318 Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |    |
| Signal word | Danger |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H314 - Causes severe skin burns and eye damage H318 - Causes serious eye damage H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P260 - Do not breathe dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P301 + P330 + P331 - IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 - Immediately call a POISON CENTER or doctor/physician. P363 - Wash contaminated clothing before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 980 mg/kg BEHAVIORAL: COMA BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-mouse LD50 640 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 111, 19 intravenous-mouse LD50 100 mg/kg BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. intraperitoneal-mouse LD50 110 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA Quarterly Journal of Crude Drug Research. Vol. 19, Pg. 1, 1981. oral-guinea pig LD50 880 mg/kg BEHAVIORAL: COMA GASTROINTESTINAL: GASTRITIS BEHAVIORAL: TREMOR Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-cat LDLo 250 mg/kg "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959. intravenous-dog LDLo 150 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA Therapie. Vol. 3, Pg. 109, 1948. intraperitoneal-guinea pig LDLo 300 mg/kg "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959. intravenous-rabbit LDLo 60 mg/kg "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959. oral-rabbit LDLo 750 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 17, Pg. 261, 1921. | |
| Dermal Toxicity: | |
| subcutaneous-mouse LD50 243 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 111, 1956. subcutaneous-frog LDLo 150 mg/kg "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959. subcutaneous-guinea pig LDLo 1100 mg/kg "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959. subcutaneous-rat LDLo 1600 mg/kg "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 6.50000 | |
| beverages(nonalcoholic): | 2.50000 | 11.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 44.00000 | |
| fruit ices: | - | 44.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 9.40000 | |
| 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: | - | - | |
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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf |
| Scientific Opinion on the safety and efficacy of phenol derivatives containing ring-alkyl, ring-alkoxy and side-chains with an oxygenated functional group (chemical group 25) when used as flavourings for all species View page or View pdf |
| Conclusion on the peer review of the pesticide risk assessment of the active substance thymol View page or View pdf |
| Review of substances/agents that have direct beneficial effect on the environment: mode of action and assessment of efficacy View page or View pdf |
| Outcome of the consultation with Member States, the applicant and EFSA on the pesticide risk assessment for thymol in light of confirmatory data View page or View pdf |
| EPI System: View |
| ClinicalTrials.gov:search |
| Daily Med:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):89-83-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6989 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3261 |
| WGK Germany:2 |
| 5-methyl-2-propan-2-ylphenol |
| Chemidplus:0000089838 |
| RTECS:PX2275000 for cas# 89-83-8 |