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ortho-guaiacol
General Material Information
| Preferred name | ortho-guaiacol |
| Trivial Name | Guaiacol |
| Short Description | o-methoxyphenol |
| Formula | C7 H8 O2 |
| CAS Number | 90-05-1 |
| FEMA Number | 2532 |
| Flavis Number | 4.005 |
| FDA UNII | 6JKA7MAH9C |
| Nikkaji Number | J3.217D |
| Beilstein Number | 0508112 |
| MDL | MFCD00002185 |
| COE Number | 173 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 713 guaiacol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 90-05-1 ; GUAIACOL |
| 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
| 2-methoxyphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 90-05-1 |
| Pubchem (cid): | 460 |
| Pubchem (sid): | 134970621 |
| Flavornet: | 90-05-1 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C01502 |
| HMDB (The Human Metabolome Database): | HMDB01398 |
| FooDB: | FDB011885 |
| YMDB (Yeast Metabolome Database): | YMDB01430 |
| Export Tariff Code: | 2909.50.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 124.13916015625 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.344 to 9.403 |
| Refractive Index | 1.533 to 1.544 @ 20 °C |
| Melting Point | 28 to 32°C @ 760 mm Hg |
| Boiling Point | 205 to 206°C @ 760 mm Hg |
| Boiling Point | 119 to 120°C @ 40 mm Hg |
| Vapor Pressure | 0.179 mmHg @ 25 °C |
| Vapor Density | 4.27 |
| Flash Point TCC Value | 82.22 °C TCC |
| logP (o/w) | 1.32 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 7226 mg/L @ 25 °C (est) | Yes |
| water, 1.87E+04 mg/L @ 15 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Phenolic | |
| phenolic, smoky, spicy, vanilla, woody, medicinal, savory, meaty | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 280 hour(s) at 100.00 % |
| Luebke, William tgsc, (1996) | At 1.00 % in dipropylene glycol. phenolic smoke spice vanilla woody |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | Phenolic, smoky, spicy, medicinal, vanilla and savory meaty with a woody nuance |
| Flavor Type: Woody | |
| woody, phenolic, bacon, savory, smoky, medicinal | |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | At 2.00 ppm. Woody, phenolic, bacon, savory, smoky and medicinal |
| General comment | Phenolic, smoke, woody, bacon |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acorn, Allspice, Amber, Animal, Arnica flower, Autumn, Azalea, Beech, Beeswax absolute replacer, Birch tar, Bread baked bread, Cabreuva wood, Cade oil replacer, Cassia, Cassia blossom, Castoreum, Celery, Cigar, Cistus, Coconut, Coffee, Deertongue absolute replacer, Fagonia, Fenugreek, Fern, Filbert, Flouve, Flouve blossom, Genet, Gingerbread, Graham cracker, Guaiacwood, Hay new mown hay, Heliotrope, Herbal, Incense, Labdanum, Leather, Lilac, Moss, Passion fruit, Peanut, Petunia, Popcorn, Powder, Pumpkin pie, Rose white rose, Spice, Spicewood, Sweet grass, Tobacco, Tonka bean, Vanilla, Woodruff, Woody |
| Flavoring purposes | Bacon, Beech, Birch tar, Cappuccino, Chocolate cocoa, Cistus, Fenugreek, Grain, Guaiacwood, Meat smoked meat, Nut, Salmon smoked salmon, Sesame, Smoke |
| Other purposes | Pinus palustris tar, Straw, Weedy |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
| 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 Acute aquatic toxicity (Category 3), H402 Chronic aquatic toxicity (Category 3), H412 | |
| 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 H402 - Harmful to aquatic life H412 - Harmful to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| 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. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. 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. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-mouse LD50 621 mg/kg (Cioli et al., 1980) gavage-rat LD50 [sex: M,F] 725 mg/kg (Taylor et al., 1964) oral-cat LDLo 1500 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. oral-human LDLo 43 mg/kg GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: TREMOR "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 295, 1969. intravenous-mouse LD50 170 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. oral-mouse LD50 621 mg/kg Drugs of the Future. Vol. 5, Pg. 539, 1980. intravenous-rabbit LDLo 3700 ug/kg Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969. oral-rabbit LDLo 2000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. oral-rat LD50 520 mg/kg BEHAVIORAL: GENERAL ANESTHETIC Folia Medica Cracoviensia. Vol. 32, Pg. 309, 1991. | |
| Dermal Toxicity: | |
| subcutaneous-guinea pig LDLo 900 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. subcutaneous-rabbit LDLo 1250 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. subcutaneous-rat LDLo 900 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC50 7570 mg/m3 Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982. | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for ortho-guaiacol usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 44.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 16.00 (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. Update in publication number(s): 29 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.00000 | 3.00000 | |
| beverages(nonalcoholic): | 0.80000 | 1.00000 | |
| beverages(alcoholic): | 1.00000 | 15.00000 | |
| breakfast cereal: | - | - | |
| cheese: | 0.10000 | 0.10000 | |
| chewing gum: | 0.01000 | 0.01000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.70000 | 2.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 0.90000 | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 3.00000 | 6.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 0.80000 | 2.00000 | |
| 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 |
| Review of substances/agents that have direct beneficial effect on the environment: mode of action and assessment of efficacy View page or View pdf |
| EPI System: View |
| ClinicalTrials.gov:search |
| Chemical Carcinogenesis Research Information System:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):90-05-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :460 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 2-methoxyphenol |
| Chemidplus:0000090051 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:SL7525000 for cas# 90-05-1 |