heliotropyl isobutyrate
piperonyl isobutyrate
Identification
| Name | heliotropyl isobutyrate |
| IUPAC | 1,3-benzodioxol-5-ylmethyl 2-methylpropanoate |
| CAS Number | 5461-08-5 |
| EINECS | 226-745-3 |
| FDA UNII | Y8HBR1ACYA |
| Molecular Formula | C12 H14 O4 |
| Molecular Weight | 222.24038000 |
| MDL Number | MFCD00005826 |
| Nikkaji Number | J208.651D |
| CoE Number | 305 |
| XlogP3 | 2.70 (est) |
Regulatory
| JECFA Food Flavoring | 895 piperonyl isobutyrate |
| DG SANTE Food Flavourings | 09.430 piperonyl isobutyrate |
| FEMA Number | 2913 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5461-08-5 ; PIPERONYL ISOBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to yellow clear oily liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.15800 to 1.16100 @ 20.00 °C. |
| Pounds per Gallon - (est). | 9.647 to 9.672 |
| Refractive Index | 1.51000 to 1.51200 @ 20.00 °C. |
| Boiling Point | 91.00 to 92.00 °C. @ 0.05 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.000006 mmHg @ 25.00 °C. (est) |
| Flash Point | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w) | 2.802 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 70 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Alfrebro LLC/ Archer Daniels Midland Company |
| Taste Description | sweet fruity tropical boysenberry berry plum apricot bubble gum |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 heliotropyl isobutyrate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.085 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (μg/capita/day) |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | 0.05000 |
| 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 | 0.05000 |
| 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 | - |
Alfrebro LLC/ Archer Daniels Midland Company
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Potential Uses
Natural Occurrence
Synonyms
2H-
benzo[3,4-d]1,3-dioxolen-5-ylmethyl 2-methylpropanoate
1,3-
benzodioxol-5-yl methyl isobutyrate
1,3-
benzodioxol-5-ylmethyl 2-methylpropanoate
1,3-
benzodioxol-5-ylmethyl isobutyrate
iso
butyric acid 3,4-methylene dioxybenzyl ester
iso
butyric acid 3,4-methylenedioxybenzyl ester
iso
butyric acid piperonyl ester
heliotropin isobutyrate
heliotropyl 2-methyl propanoate
heliotropyl 2-methylpropanoate
2-
methyl propanoic acid 1,3-benzodioxol-5-yl methyl ester
3,4-
methylene dioxybenzyl 2-methyl propanoate
3,4-
methylenedioxybenzyl 2-methylpropanoate
3,4-
methylenedioxybenzyl isobutyrate
piperonal isobutyrate
piperonyl 2-methyl propanoate
piperonyl 2-methylpropanoate
piperonyl isobutyrate
piperonylisobutyrate
propanoic acid, 2-methyl-, 1,3-benzodioxol-5-ylmethyl ester
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