isobutyl heptanoate
isobutyl heptoate
Identification
| Name | isobutyl heptanoate |
| IUPAC | 2-methylpropyl heptanoate |
| CAS Number | 7779-80-8 |
| EINECS | 231-940-1 |
| FDA UNII | LJS6KH0B8M |
| Molecular Formula | C11 H22 O2 |
| Molecular Weight | 186.29474000 |
| Nikkaji Number | J36.958F |
| Beilstein | 1760201 |
| CoE Number | 364 |
Regulatory
| JECFA Food Flavoring | 172 isobutyl heptanoate |
| DG SANTE Food Flavourings | 09.092 isobutyl heptanoate |
| FEMA Number | 2200 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7779-80-8 ; ISOBUTYL HEPTANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.85930 @ 25.00 °C. |
| Boiling Point | 95.00 to 97.00 °C. @ 12.00 mm Hg, 208.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.219000 mmHg @ 25.00 °C. (est) |
| Flash Point | 181.00 °F. TCC ( 82.78 °C. ) |
| logP (o/w) | 4.196 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Human Experience | 2 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for isobutyl heptanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.01 (μg/capita/day) |
| baked goods | 7.00000 |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 2.40000 |
| fruit ices | 2.40000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 7.00000 |
| 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 | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
iso
butyl heptoate
iso
butyl heptylate
iso-
butyl-heptanoate
heptanoic acid 2-methyl propyl ester
heptanoic acid isobutyl ester
heptanoic acid, 2-methylpropyl ester
heptanoic acid, isobutyl ester
2-
methyl propyl heptanoate
2-
methyl-1-propyl heptanoate
2-
methylpropyl heptanoate
Try the PubMed Search.