| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 93-51-6 |
| ECHA EC Number: | 202-252-9 |
| FDA UNII: | W9GW1KZG6N |
| CoE Number: | 175 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 4-methyl guaiacol |
| InChI : | InChI=1/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3 |
| Std.InChI: | InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3 |
| InChIKey : | PETRWTHZSKVLRE-UHFFFAOYAK |
| Std.InChIKey: | PETRWTHZSKVLRE-UHFFFAOYSA-N |
| SMILES : | CC1=CC(=C(C=C1)O)OC |
| MDL: | MFCD00002378 |
| Molar Refractivity : | 39.63 ± 0.3 cm3 (est) |
| Parachor : | 316.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.530 ± 0.02 (est) |
| Surface Tension : | 37.2 ± 3.0 dyne/cm (est) |
| Density : | 1.078 ± 0.06 g/cm3 (est) |
| Polarizability : | 15.71 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 715 2-methoxy-4-methylphenol |
| DG SANTE Food Flavourings: | 04.007 2-methoxy-4-methylphenol |
| FEMA Number: | 2671 2-methoxy-4-methylphenol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 93-51-6 ; 2-METHOXY-4-METHYLPHENOL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.09000 to 1.10000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.070 to 9.153 |
| Refractive Index: | 1.53400 to 1.54000 @ 20.00 °C. |
| Melting Point: | 5.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 221.00 to 222.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.078000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 211.00 °F. TCC ( 99.44 °C. ) |
| logP (o/w): | 1.925 (est) |
| Shelf Life: | 24.00 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 | |
| water, 2093 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. 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. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. 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. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 740 mg/kg Folia Medica Cracoviensia. Vol. 32, Pg. 309, 1991. intravenous-mouse LD50 76 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSIONLUNGS, THORAX, OR RESPIRATION: DYSPNEA Archives Internationales de Pharmacodynamie et de Therapie. Vol. 164, Pg. 30, 1966. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 | |||
| IFRA Critical Effect: | |||
| Dermal sensitization | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.0085 % | |||
| Category 2: Products applied to the axillae | |||
| 0.0025 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.051 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.047 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.012 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.012 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.012 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.012 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.028 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.096 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.096 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.005 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.092 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.33 % | |||
| Category 10B: Household aerosol/spray products | |||
| 0.33 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.18 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.18 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 31.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (μg/capita/day) | ||
| 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. Update in publication number(s): 29 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 4.00000 | 11.00000 | |
| beverages(nonalcoholic): | 10.00000 | 21.00000 | |
| beverages(alcoholic): | 0.60000 | 10.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 15.00000 | 25.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 2.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 7.00000 | 18.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.80000 | 0.80000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 12.00000 | 35.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 4.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):93-51-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7144 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-methoxy-4-methylphenol |
| Chemidplus:0000093516 |
| RTECS:GP1755000 for cas# 93-51-6 |
| 2-methoxy-4-methylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 93-51-6 |
| Pubchem (cid): | 7144 |
| Pubchem (sid): | 134972998 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32136 |
| FooDB: | FDB008862 |
| Export Tariff Code: | 2909.50.2000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FR | anise |
| FL | bacon |
| FL/FR | beech |
| FL | beverage |
| FR | castoreum |
| FL | cheese |
| FL | chocolate cocoa |
| FR | clove |
| FR | coffee |
| confection | |
| FL | dairy |
| FR | jasmin |
| FL | meat smoked meat |
| FL | nut |
| FR | root beer |
| FL | rum |
| FR | saffron |
| FL | salmon smoked salmon |
| FL | savory |
| FL | smoke |
| FR | strawberry |
| FL | tomato |
| FR | vanilla |
| FL | whiskey |
| FR | ylang ylang |
| anise plant Search Trop Picture | |
| anise seed Search Trop Picture | |
| beechwood tar Search Trop Picture | |
| beer Search PMC Picture | |
| champaca concrete @ 0.02% Data GC Search Trop Picture | |
| cheese gruyere cheese Search PMC Picture | |
| clover yellow sweet clover Search Trop Picture | |
| cocoa Search Trop Picture | |
| coffee Search PMC Picture | |
| corn seed Search Trop Picture | |
| hyacinthus orientalis absolute @ 0.02-0.04% Data GC Search Trop Picture | |
| jasmin flower Search Trop Picture | |
| malt Search PMC Picture | |
| mushroom Search PMC Picture | |
| pepper bell pepper fruit Search Trop Picture | |
| pork Search PMC Picture | |
| rum Search PMC Picture | |
| sherry Search PMC Picture | |
| smoked foods Search PMC Picture | |
| tea Search Trop Picture | |
| vanilla bourbon vanilla Search Trop Picture | |
| whiskey bourbon whiskey Search Picture | |
| wine red wine Search Picture | |
| wine white wine Search Picture | |
| ylang ylang oil @ 0.07% Data GC Search Trop Picture | |
| ylang ylang oil CO2 extract @ 0.01% Data GC Search Trop Picture |
| homo | catechol monomethyl ether |
| creosol | |
| p- | creosol |
| para- | creosol |
| creosol natural | |
| homo | guaiacol |
| guaiacol, 4-methyl- | |
| 1- | hydroxy-2-methoxy-4-methyl benzene |
| 1- | hydroxy-2-methoxy-4-methylbenzene |
| 4- | hydroxy-3-methoxy-1-methyl benzene |
| 4- | hydroxy-3-methoxytoluene |
| 4- | hydroxy-3-methylanisol |
| 2- | hydroxy-5-methylanisole |
| 2- | methoxy-4-cresol |
| 3- | methoxy-4-hydroxytoluene |
| 2- | methoxy-4-methyl phenol |
| 2- | methoxy-4-methylphenol |
| 2- | methoxy-4-methylphenol natural |
| 2- | methoxy-p-cresol |
| 2- | methoxy-para-cresol |
| 4- | methyl guaiacol |
| nat.4- | methyl guaiacol |
| p- | methyl guaiacol |
| para- | methyl guaiacol |
| 4- | methyl guaiacol natural |
| 4- | methyl guaiacol synthetic |
| 4- | methyl-2-methoxyphenol |
| 4- | methylguaiacol |
| p- | methylguaiacol |
| para- | methylguaiacol |
| phenol, 2-methoxy-4-methyl- | |
| rohkcrsol | |
| valspice (Givaudan) | |
| valspice natural |
