para-cresyl isobutyrate
p-tolyl isobutyrate
Identification
| Name | para-cresyl isobutyrate |
| IUPAC | (4-methylphenyl) 2-methylpropanoate |
| CAS Number | 103-93-5 |
| EINECS | 203-159-6 |
| FDA UNII | 8H719PT14T |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00026440 |
| Nikkaji Number | J36.973J |
| Beilstein | 2519560 |
| CoE Number | 304 |
| XlogP3 | 3.20 (est) |
Regulatory
| JECFA Food Flavoring | 701 p-tolyl isobutyrate |
| DG SANTE Food Flavourings | 09.429 p-tolyl isobutyrate |
| FEMA Number | 3075 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 103-93-5 ; P-TOLYL ISOBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.98700 to 0.99500 @ 25.00 °C., 0.99000 to 0.99800 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.213 to 8.279 |
| Pounds per Gallon - est. | 8.247 to 8.314 |
| Refractive Index | 1.48100 to 1.49100 @ 20.00 °C. |
| Boiling Point | 237.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.040000 mmHg @ 20.00 °C. |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 205.00 °F. TCC ( 96.11 °C. ) |
| logP (o/w) | 2.943 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. A lily, narcissus-type odor aromatic floral-fruity; slightly cananga FLORAL,LILY,NARCISSUS,YLANG,LEATHER
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
aromatic, fruity, phenolic note floral aromatic, fruity, phenolic note aromatic, fruity, phenolic note
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 3980 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 3970 ul/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 para-cresyl isobutyrate usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.037 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.01 (μg/capita/day) |
| baked goods | 0.12000 |
| beverages(nonalcoholic) | 0.10000 |
| 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 | 0.12000 |
| 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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