ortho-cresyl isobutyrate
o-tolyl isobutyrate
Identification
| Name | ortho-cresyl isobutyrate |
| IUPAC | (2-methylphenyl) 2-methylpropanoate |
| CAS Number | 36438-54-7 |
| FDA UNII | X2ORQ6I00S |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00209539 |
| Nikkaji Number | J1.539.191J |
| CoE Number | 681 |
| XlogP3 | 2.70 (est) |
Regulatory
| JECFA Food Flavoring | 700 o-tolyl isobutyrate |
| DG SANTE Food Flavourings | 09.480 o-tolyl isobutyrate |
| FEMA Number | 3753 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 36438-54-7 ; O-TOLYL ISOBUTYRATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00000 to 1.00700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.321 to 8.379 |
| Refractive Index | 1.48200 to 1.48800 @ 20.00 °C. |
| Boiling Point | 107.00 to 108.00 °C. @ 8.00 mm Hg, 238.00 to 239.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.039000 mmHg @ 25.00 °C. (est) |
| Flash Point | 203.00 °F. TCC ( 95.00 °C. ) |
| logP (o/w) | 2.872 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| 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 ortho-cresyl isobutyrate usage levels up to | 0.3000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.024 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| 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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Synerzine, Inc.
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Potential Uses
Natural Occurrence
Synonyms
iso
butyric acid, 2-methylphenyl ester
o-iso
cresyl butyrate
o-
cresyl isobutyrate
cresyl isobutyrate, o-
2-
methyl phenyl 2-methyl propanoate
o-
methyl phenyl isobutyrate
ortho-
methyl phenyl isobutyrate
2-
methyl propanoic acid 2-methyl phenyl ester
2-
methylphenyl 2-methylpropanoate
o-
methylphenyl isobutyrate
ortho-
methylphenyl isobutyrate
methylphenyl isobutyrate, o-
(2-
methylphenyl) 2-methylpropanoate
2-
methylpropanoic acid 2-methylphenyl ester
propanoic acid, 2-methyl-, 2-methylphenyl ester
o-
tolyl 2-methyl propanoate
ortho-
tolyl 2-methyl propanoate
o-
tolyl 2-methylpropanoate
ortho-
tolyl 2-methylpropanoate
tolyl 2-methylpropanoate, o-
o-
tolyl isobutyrate
ortho-
tolyl isobutyrate
tolyl isobutyrate, o-
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