vanillyl butyl ether
butyl vanillyl ether
Identification
| Name | vanillyl butyl ether |
| IUPAC | 4-(butoxymethyl)-2-methoxyphenol |
| CAS Number | 82654-98-6 |
| FDA UNII | S2ULN37C9R |
| Molecular Formula | C12 H18 O3 |
| Molecular Weight | 210.27306000 |
| MDL Number | MFCD00238529 |
| Nikkaji Number | J60.915C |
| XlogP3 | 1.80 (est) |
Regulatory
| JECFA Food Flavoring | 888 vanillyl butyl ether |
| DG SANTE Food Flavourings | 04.093 butyl vanillyl ether |
| FEMA Number | 3796 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 82654-98-6 ; VANILLYL BUTYL ETHER |
Physical Properties
| Appearance | colorless to pale yellow clear viscous liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.04800 to 1.06800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.720 to 8.887 |
| Refractive Index | 1.51100 to 1.52100 @ 20.00 °C. |
| Boiling Point | 241.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000388 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 2.590 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | fragrance |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] M:5104 F:4734 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
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 |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for vanillyl butyl ether usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Structure Class | II |
| baked goods | 5.00000 |
| beverages(nonalcoholic) | 8.00000 |
| beverages(alcoholic) | 30.00000 |
| breakfast cereal | 60.00000 |
| cheese | 100.00000 |
| chewing gum | 3500.00000 |
| condiments / relishes | 40.00000 |
| confectionery froastings | 70.00000 |
| egg products | 5.00000 |
| fats / oils | 200.00000 |
| fish products | 200.00000 |
| frozen dairy | 100.00000 |
| fruit ices | 35.00000 |
| gelatins / puddings | 70.00000 |
| granulated sugar | 50.00000 |
| gravies | 10.00000 |
| hard candy | 400.00000 |
| imitation dairy | 90.00000 |
| instant coffee / tea | 15.00000 |
| jams / jellies | 35.00000 |
| meat products | 10.00000 |
| milk products | 25.00000 |
| nut products | 200.00000 |
| other grains | 60.00000 |
| poultry | 100.00000 |
| processed fruits | 5.00000 |
| processed vegetables | 5.00000 |
| reconstituted vegetables | 5.00000 |
| seasonings / flavors | 10.00000 |
| snack foods | 25.00000 |
| soft candy | 400.00000 |
| soups | 30.00000 |
| sugar substitutes | 40.00000 |
| sweet sauces | 65.00000 |
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