| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 6938-94-9 |
| ECHA EC Number: | 230-072-0 |
| FDA UNII: | P7E6YFV72X |
| Category: | food-contact surface of paper and paperboard |
| IUPAC Name: | diisopropyl adipate |
| InChI : | InChI=1/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3 |
| Std.InChI: | InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey : | ZDQWESQEGGJUCH-UHFFFAOYAB |
| Std.InChIKey: | ZDQWESQEGGJUCH-UHFFFAOYSA-N |
| SMILES : | CC(C)OC(=O)CCCCC(=O)OC(C)C |
| MDL: | MFCD00026391 |
| Molar Refractivity : | 61.11 ± 0.3 cm3 (est) |
| Parachor : | 553.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.434 ± 0.02 (est) |
| Surface Tension : | 31.1 ± 3.0 dyne/cm (est) |
| Density : | 0.982 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.22 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1966 diisopropyl adipate |
| FEMA Number: | 4474 diisopropyl adipate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 6938-94-9 ; DIISOPROPYL ADIPATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96300 to 0.96800 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.022 to 8.064 |
| Refractive Index: | 1.42300 to 1.42700 @ 20.00 °C. |
| Melting Point: | -1.10 °C. @ 760.00 mm Hg |
| Boiling Point: | 251.00 to 253.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.019000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 229.00 °F. TCC ( 109.44 °C. ) |
| logP (o/w): | 2.676 (est) |
| Soluble in: | |
| alcohol | |
| water, 55.61 mg/L @ 25 °C (est) | |
| Allan Chemical |
| Diisopropyl Adipate |
| Alzo International |
| Dermol DIA |
| Alzo International |
| Wickenol 116 |
| American International Chemical, LLC. |
| Diisopropyl Adipate |
| Axsyn |
| For experimental / research use only. |
| Hexanedioic acid,1,6-bis(1-methylethyl) ester |
| BOC Sciences |
| For experimental / research use only. |
| Diisopropyl Adipate |
| Charkit Chemical |
| DIISOPROPYL ADIPATE |
| Chemical-navi - Nikkol |
| NIKKOL DID Odor: characteristic Use: Dibasic acid ester; good solubility and penetration; light feel; penetrating agent for topical drug forms. |
| Croda |
| Crodamol™ DA Odor: bland Use: Exceptionally low viscosity emollient. Plasticiser for nail varnish, hair spray and other styling aids. Solvent for lipophilic actives, dyestuff and chemical sunscreens. Excellent water/alcohol solubility. |
| HallStar |
| HALLSTAR® DIPA Odor: characteristic Use: HallStar DIPA is a multifunctional, (solvent for aromatic oils, coupler, emollient, lubricant, plasticizer) synthetically produced diester of Isopropyl Alcohol and Adipic Acid. It is non-occlusive, non-oily, light emollient with excellent spreading properties. Used in bath oils, it delivers a soft feel to skin. In sunscreens, it solubilizes solid organic UV filters and its relatively high polarilty may assist with Avobenzone photostabilization. Recommended use level: 0.1%-25%, depending upon application (lower end as a plasticizer, higher as an emollient. sunscreen solvent or hydro-alcoholic coupler, high end as a bath oil additive). |
| Inoue Perfumery |
| DIISOPROPYL ADIPATE |
| Lubrizol Corporation |
| Schercemol™ DIA Ester Odor: charateristic Use: Schercemol DIA ester is often used in hydroalcoholic formulations because of its excellent compatibility in such systems. Typical end uses for Schercemol DIA ester in hydroalcohol products are pre-electric and after shave lotions, where it functions as a non-oily emollient. Dry oil sprays are another popular application, where Schercemol DIA ester is valued for its rapid absorbency and low residual tack. Other usages include sun care, deodorants, lipsticks, hand lotions and men's grooming aids. |
| Penta International |
| DIISOPROPYL ADIPATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Diisopropyl Adipate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Diisopropyl adipate |
| Symrise |
| IsoAdipate Odor: characteristic Use: Excellent film forming capacity on the skin. |
| SysKem Chemie |
| Diisopropyl Adipate |
| TCI AMERICA |
| For experimental / research use only. |
| Diisopropyl Adipate >99.0%(GC) |
| Universal Preserv-A-Chem Inc. |
| DIISOPROPYL ADIPATE Odor: characteristic Use: Is used as an emollient in cosmetics and as a plasticiser. |
| 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 | |
| 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: | - | - | |
| 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 |
| dipropan-2-yl hexanedioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 6938-94-9 |
| Pubchem (cid): | 23368 |
| Pubchem (sid): | 134987529 |
| Pherobase: | View |
| (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 |
| None Found |
| emollients | |
| plasticisers | |
| skin conditioning | |
| solvents |
| not found in nature |
| iso | adipate (Symrise) |
| adipic acid diisopropyl ester | |
| adipic acid isopropyl ester | |
| adipic acid, diisopropyl ester | |
| ceraphyl 230 | |
| crodamol DA | |
| dermol DIA | |
| dipropan-2-yl hexanedioate | |
| hallstar DIPA | |
| hexane dioic acid 1,6-bis(1-methyl ethyl) ester | |
| hexane dioic acid bis(1-methyl ethyl) ester | |
| hexanedioic acid 1,6-bis(1-methylethyl) ester | |
| hexanedioic acid bis(1-methylethyl) ester | |
| hexanedioic acid, bis (1-methylethyl) ester | |
| hexanedioic acid, bis(1-methylethyl) ester | |
| hexanedioic acid,1,6-bis(1-methylethyl) ester | |
| bis(1- | methyl ethyl) hexane dioate |
| bis(1- | methylethyl) hexanedioate |
| bis(1- | methylethyl)hexanedioate |
| nikkol DID | |
| 1,6-bis( | propan-2-yl) hexanedioate |
| schercemol DIA | |
| schercemol DIA ester | |
| standamul DIPA | |
| tegester 504-D | |
| wickenol 116 |
