ortho-guaiacol
o-methoxyphenol
Identification
| Name | ortho-guaiacol |
| IUPAC | 2-methoxyphenol |
| CAS Number | 90-05-1 |
| EINECS | 201-964-7 |
| FDA UNII | 6JKA7MAH9C |
| Molecular Formula | C7 H8 O2 |
| Molecular Weight | 124.13916000 |
| MDL Number | MFCD00002185 |
| Nikkaji Number | J3.217D |
| Beilstein | 0508112 |
| CoE Number | 173 |
| XlogP3 | 1.30 (est) |
Regulatory
| JECFA Food Flavoring | 713 guaiacol |
| DG SANTE Food Flavourings | 04.005 2-methoxyphenol |
| FEMA Number | 2532 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 90-05-1 ; GUAIACOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear oily liquid to solid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.12300 to 1.13000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.344 to 9.403 |
| Refractive Index | 1.53300 to 1.54400 @ 20.00 °C. |
| Melting Point | 28.00 to 32.00 °C. @ 760.00 mm Hg |
| Boiling Point | 205.00 to 206.00 °C. @ 760.00 mm Hg, 119.00 to 120.00 °C. @ 40.00 mm Hg |
| Vapor Pressure | 0.179000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.27 ( Air = 1 ) |
| Flash Point | 180.00 °F. TCC ( 82.22 °C. ) |
| logP (o/w) | 1.320 |
| 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. store under nitrogen., store under nitrogen. |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 280 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. Phenolic, smoky, spicy, medicinal, vanilla and savory meaty with a woody nuance medicinal; smoky; woody aromatic, phenolic aromatic phenolic burnt Warm, smoky, vanilla, phenolic, soft, woody. Very Powerful
|
| Odor sample from | Sigma-Aldrich |
| Taste Description |
at 2.00 ppm. phenolic, smoke, woody, bacon
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 621 mg/kg |
| Dermal Toxicity | subcutaneous-guinea pig LDLo 900 mg/kg |
| Inhalation Toxicity | inhalation-mouse LC50 7570 mg/m3 |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| 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 |
| baked goods | 2.00000 |
| beverages(nonalcoholic) | 0.80000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | 0.10000 |
| chewing gum | 0.01000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.70000 |
| fruit ices | - |
| gelatins / puddings | 0.90000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 1.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 3.00000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 0.80000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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