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diisopropyl adipate
General Material Information
| Preferred name | diisopropyl adipate |
| Trivial Name | Diisopropyl adipate |
| Short Description | dipropan-2-yl hexanedioate |
| Formula | C12 H22 O4 |
| CAS Number | 6938-94-9 |
| Deleted CAS Number | 121879-14-9 |
| FEMA Number | 4474 |
| ECHA Number | 230-072-0 |
| FDA UNII | P7E6YFV72X |
| Nikkaji Number | J14.488F |
| Beilstein Number | 1785346 |
| MDL | MFCD00026391 |
| xLogP3-AA | 2.20 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1966 diisopropyl adipate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 6938-94-9 ; DIISOPROPYL ADIPATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| dipropan-2-yl hexanedioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 6938-94-9 |
| Pubchem (cid): | 23368 |
| Pubchem (sid): | 134987529 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14523 |
| HMDB (The Human Metabolome Database): | HMDB41613 |
| FooDB: | FDB021768 |
| Export Tariff Code: | 2917.12.5000 |
| ChemSpider: | View |
| FAO: | Diisopropyl adipate |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 230.30413818359 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.022 to 8.064 |
| Refractive Index | 1.423 to 1.427 @ 20 °C |
| Boiling Point | 251 to 253°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.019 mmHg @ 25 °C |
| Flash Point TCC Value | 109.44 °C TCC |
| logP (o/w) | 2.676 est |
| Solubility | |
| alcohol | Yes |
| water, 55.61 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Estery | |
| estery, fatty, sour | |
| Odor strength | low |
| General comment | At 100.00 %. mild estery fatty sour |
Potential Uses
| Applications | |
| Other purposes | Emollients , Plasticisers , Skin conditioning , Solvents |
| Cosmetic purposes | Fragrance , Plasticisers , Skin conditioning , Skin conditioning - emollient , Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| intravenous-rat LD50 640 mg/kg U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| food-contact surface of paper and paperboard | |||
| Recommendation for diisopropyl adipate usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 200.00000 | 400.00000 | |
| beverages(nonalcoholic): | 0.10000 | 2.00000 | |
| 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: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):6938-94-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :23368 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| dipropan-2-yl hexanedioate |
| Chemidplus:0006938949 |
| RTECS:AV1575000 for cas# 6938-94-9 |