dimethyl benzyl carbinol
alpha,alpha-dimethylphenethyl alcohol
Identification
| Name | dimethyl benzyl carbinol |
| IUPAC | 2-methyl-1-phenylpropan-2-ol |
| CAS Number | 100-86-7 |
| EINECS | 202-896-0 |
| FDA UNII | N95NCI59MI |
| Molecular Formula | C10 H14 O |
| Molecular Weight | 150.22078000 |
| MDL Number | MFCD00004465 |
| Nikkaji Number | J9.769A |
| Beilstein | 1855608 |
| CoE Number | 84 |
| XlogP3 | 2.20 (est) |
Regulatory
| JECFA Food Flavoring | 1653 alpha,alpha-dimethylphenethyl alcohol |
| DG SANTE Food Flavourings | 02.035 2-methyl-1-phenylpropan-2-ol |
| FEMA Number | 2393 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 100-86-7 ; ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid to solid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97300 to 0.97600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.096 to 8.121 |
| Refractive Index | 1.51200 to 1.51800 @ 20.00 °C. |
| Melting Point | 23.00 to 24.00 °C. @ 760.00 mm Hg |
| Boiling Point | 215.00 to 216.00 °C. @ 760.00 mm Hg, 108.00 °C. @ 11.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.089000 mmHg @ 25.00 °C. (est) |
| Flash Point | 182.00 °F. TCC ( 83.33 °C. ) |
| logP (o/w) | 2.269 (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 | fixed oils |
| Insoluble in | water |
| Stability | acid cleaner |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | low |
| Substantivity | 6 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. fresh aromatic-floral, somewhat fruity, green; bergamot, peach-like FRESH, FLORAL, GREEN, FRUITY clean floral rose cortex fresh aromatic-floral fruity green bergamot peach dew chemical Clean, floral-rose, green-stems, animal-oily, rhubarb, freshly cut wood
|
| Odor sample from | Berje Inc. |
| Taste Description | medicinal floral phenolic narcissus cinnamyl |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 8 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 1280 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 dimethyl benzyl carbinol usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 19.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 12.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| 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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