| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 627-93-0 |
| ECHA EC Number: | 211-020-6 |
| FDA UNII: | BY71RX0R62 |
| Category: | food-contact surface of paper and paperboard |
| IUPAC Name: | dimethyl adipate |
| InChI : | InChI=1/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3 |
| Std.InChI: | InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3 |
| InChIKey : | UDSFAEKRVUSQDD-UHFFFAOYAJ |
| Std.InChIKey: | UDSFAEKRVUSQDD-UHFFFAOYSA-N |
| SMILES : | COC(=O)CCCCC(=O)OC |
| MDL: | MFCD00008469 |
| Molar Refractivity : | 42.66 ± 0.3 cm3 (est) |
| Parachor : | 399.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.422 ± 0.02 (est) |
| Surface Tension : | 32.4 ± 3.0 dyne/cm (est) |
| Density : | 1.039 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.91 ± 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: | 1964 dimethyl adipate |
| FEMA Number: | 4472 dimethyl adipate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 627-93-0 ; DIMETHYL ADIPATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.05800 to 1.06100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.804 to 8.829 |
| Refractive Index: | 1.42700 to 1.42800 @ 20.00 °C. |
| Melting Point: | 9.00 to 11.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 109.00 to 110.00 °C. @ 14.00 mm Hg |
| Boiling Point: | 115.00 °C. @ 13.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.073000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 6.1 ( Air = 1 ) |
| Flash Point: | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w): | 1.030 |
| Soluble in: | |
| alcohol | |
| water, 6000 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| BOC Sciences |
| For experimental / research use only. |
| Dimethyl Adipate |
| Charkit Chemical |
| DIMETHYL ADIPATE |
| Inoue Perfumery |
| DIMETHYL ADIPATE |
| Jiangyin Healthway |
| Dimethyl Adipate Natural98% |
| New functional food ingredients |
| Jiangyin Healthway |
| Dimethyl Adipate |
| Penta International |
| DIMETHYL ADIPATE PURE |
| Penta International |
| DIMETHYL ADIPATE TECHNICAL GRADE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Dimethyl Adipate ≥98% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Dimethyl adipate ≥99% |
| SysKem Chemie |
| Dimethyl Adipate |
| TCI AMERICA |
| For experimental / research use only. |
| Dimethyl Adipate >99.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing. | |
| 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: | |
| intraperitoneal-rat LD50 1809 uL/kg Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| food-contact surface of paper and paperboard | |||
| Recommendation for dimethyl 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: | 0.50000 | 10.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | 5.00000 | 10.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 10.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 5.00000 | 10.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 5.00000 | 10.00000 | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):627-93-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12329 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| dimethyl hexanedioate |
| Chemidplus:0000627930 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:AV1645000 for cas# 627-93-0 |
| dimethyl hexanedioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 627-93-0 |
| Pubchem (cid): | 12329 |
| Pubchem (sid): | 134978711 |
| 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): | C14570 |
| HMDB (The Human Metabolome Database): | HMDB41606 |
| FooDB: | FDB021761 |
| Export Tariff Code: | 2917.12.5000 |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Dimethyl adipate |
| None Found |
| emollients | |
| plasticisers | |
| skin conditioning |
| not found in nature |
| adipic acid dimethyl ester | |
| adipic acid, dimethyl ester | |
| DBE 6 dibasic ester | |
| DBE-6 dibasic ester | |
| dimethyl 1,6-hexanedioate | |
| dimethyl adipate pure | |
| dimethyl hexane dioate | |
| 1,6- | dimethyl hexane dioate |
| dimethyl hexane-1,6-dioate | |
| dimethyl hexanedioate | |
| 1,6- | dimethyl hexanedioate |
| dimethyladipate | |
| hexane dioic acid 1,6-dimethyl ester | |
| hexane dioic acid dimethyl ester | |
| hexanedioic acid 1,6-dimethyl ester | |
| hexanedioic acid dimethyl ester | |
| hexanedioic acid, dimethyl ester |
