isopropyl benzoate
benzoic acid, isopropyl ester
Identification
| Name | isopropyl benzoate |
| IUPAC | propan-2-yl benzoate |
| CAS Number | 939-48-0 |
| EINECS | 213-361-6 |
| FDA UNII | 1Q2618834N |
| Molecular Formula | C10 H12 O2 |
| Molecular Weight | 164.20404000 |
| MDL Number | MFCD00048289 |
| Nikkaji Number | J36.027I |
| Beilstein | 2044384 |
| CoE Number | 652 |
| XlogP3 | 3.20 (est) |
Regulatory
| JECFA Food Flavoring | 855 isopropyl benzoate |
| DG SANTE Food Flavourings | 09.770 isopropyl benzoate |
| FEMA Number | 2932 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 939-48-0 ; ISOPROPYL BENZOATE |
| 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 | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 215.00 to 218.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.107000 mmHg @ 25.00 °C. (est) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 3.180 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 3730 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 20 ml/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 | cosmetic, flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| limits in the finished product for - "leave on the skin contact" | 0.5000 % Recommendation. |
| limits in the finished product for - "wash off the skin contact" | 0.5000 % Recommendation. |
| limits in the finished product for - "no skin contact" | 5.0000 % Recommendation. |
| Recommendation for isopropyl benzoate usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0037 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.30 (μg/capita/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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Potential Uses
Natural Occurrence
Synonyms
benzoic acid 1-methyl ethyl ester
benzoic acid 1-methylethyl ester
benzoic acid isopropyl ester
benzoic acid, 1-methylethyl ester
benzoic acid, isopropyl ester
1-
methyl ethyl benzoate
1-
methylethyl benzoate
propan-2-yl benzoate
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