isobutyl benzyl carbinol
alpha-isobutylphenethyl alcohol
Identification
| Name | isobutyl benzyl carbinol |
| IUPAC | 4-methyl-1-phenylpentan-2-ol |
| CAS Number | 7779-78-4 |
| EINECS | 231-939-6 |
| FDA UNII | 2SBL0E1I0N |
| Molecular Formula | C12 H18 O |
| Molecular Weight | 178.27466000 |
| MDL Number | MFCD00209515 |
| Nikkaji Number | J181.792B |
| Beilstein | 3243559 |
| CoE Number | 2031 |
| XlogP3 | 3.50 (est) |
Regulatory
| JECFA Food Flavoring | 827 alpha-isobutylphenethyl alcohol |
| DG SANTE Food Flavourings | 02.065 4-methyl-1-phenylpentan-2-ol |
| FEMA Number | 2208 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7779-78-4 ; ALPHA-ISOBUTYLPHENETHYL ALCOHOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 96.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94000 to 0.94900 @ 25.00 °C., 0.94100 to 0.94900 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.822 to 7.897 |
| Pounds per Gallon - est. | 7.839 to 7.906 |
| Refractive Index | 1.50000 to 1.51000 @ 20.00 °C. |
| Boiling Point | 250.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.224000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 3.230 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Taste Description | at 10.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| 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 isobutyl benzyl carbinol usage levels up to | 3.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 24.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | 15.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
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