4-methyl biphenyl
4-methylbiphenyl
Identification
| Name | 4-methyl biphenyl |
| IUPAC | 1-methyl-4-phenylbenzene |
| CAS Number | 644-08-6 |
| EINECS | 211-409-0 |
| FDA UNII | 13J700766D |
| Molecular Formula | C13 H12 |
| Molecular Weight | 168.23864000 |
| MDL Number | MFCD00008544 |
| Nikkaji Number | J36.116J |
| Beilstein | 1904468 |
| CoE Number | 2292 |
| XlogP3 | 4.60 (est) |
Regulatory
| JECFA Food Flavoring | 1334 4-methylbiphenyl |
| FEMA Number | 3186 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 644-08-6 ; 4-METHYLBIPHENYL |
Physical Properties
| Appearance | white crystals (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 49.00 to 50.00 °C. @ 760.00 mm Hg |
| Boiling Point | 267.00 to 268.00 °C. @ 760.00 mm Hg, 134.00 to 136.00 °C. @ 15.00 mm Hg |
| Vapor Pressure | 0.013000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 4.630 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. Floral, spicy, wintergreen, estragole and waxy with cooling, minty nuances
|
| Taste Description |
grape fig at 12.00 ppm.
|
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 2570 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 | flavoring agents |
| Recommendation for 4-methyl biphenyl usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0085 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.08 (μg/capita/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| 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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