| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 141-28-6 |
| ECHA EC Number: | 205-477-0 |
| FDA UNII: | 7B19K45L6C |
| Category: | solvents/deluents for flavor and/or fragrance agents |
| IUPAC Name: | diethyl adipate |
| InChI : | InChI=1/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3 |
| Std.InChI: | InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3 |
| InChIKey : | VIZORQUEIQEFRT-UHFFFAOYAR |
| Std.InChIKey: | VIZORQUEIQEFRT-UHFFFAOYSA-N |
| SMILES : | CCOC(=O)CCCCC(=O)OCC |
| MDL: | MFCD00009215 |
| Molar Refractivity : | 51.92 ± 0.3 cm3 (est) |
| Parachor : | 479.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.431 ± 0.02 (est) |
| Surface Tension : | 32.6 ± 3.0 dyne/cm (est) |
| Density : | 1.008 ± 0.06 g/cm3 (est) |
| Polarizability : | 20.58 ± 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 09.348 diethyl adipate |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00400 to 1.01000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.354 to 8.404 |
| Refractive Index: | 1.42500 to 1.43100 @ 20.00 °C. |
| Melting Point: | -20.00 to -18.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 244.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.026800 mmHg @ 25.00 °C. (est) |
| Flash Point: | 232.00 °F. TCC ( 111.11 °C. ) |
| logP (o/w): | 2.370 (est) |
| Soluble in: | |
| alcohol | |
| water, 4230 mg/L @ 20 °C (exp) | |
| Insoluble in: | |
| water | |
| BOC Sciences |
| For experimental / research use only. |
| Diethyl Hexanedioate |
| EMD Millipore |
| For experimental / research use only. |
| Diethyl Adipate |
| Global Essence |
| Diethyl Adipate |
| Grau Aromatics |
| DIETHYL-ADIPATE NI, Kosher |
| Inoue Perfumery |
| DIETHYL ADIPATE |
| Jiangyin Healthway |
| Diethyl Adipate Natural98% |
| New functional food ingredients |
| Jiangyin Healthway |
| Diethyl Adipate |
| Lluch Essence |
| DIETHYL ADIPATE |
| Miltitz Aromatics |
| Diethyl Adipate |
| Moellhausen |
| DIETHYL ADIPATE |
| Penta International |
| DIETHYL ADIPATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Diethyl hexanedioate |
| Seqens |
| Diethyl Adipate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Diethyl adipate ReagentPlus®, 99% |
| SRS Aromatics |
| DIETHYL ADIPATE |
| SysKem Chemie |
| Diethyl Adipate |
| TCI AMERICA |
| For experimental / research use only. |
| Diethyl Adipate >99.0%(GC) |
| WholeChem |
| Diethyl Adipate |
| 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. | |
| 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: | |
| oral-rat LD50 > 1600 mg/kg (Patty, 1963) intraperitoneal-mouse LD50 2190 mg/kg Toxicology and Applied Pharmacology. Vol. 32, Pg. 566, 1975. oral-mouse LD50 8100 mg/kg Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| solvents/deluents for flavor and/or fragrance agents | |||
| Recommendation for diethyl adipate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.027 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):141-28-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8844 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| diethyl hexanedioate |
| Chemidplus:0000141286 |
| RTECS:AV1100000 for cas# 141-28-6 |
| diethyl hexanedioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 141-28-6 |
| Pubchem (cid): | 8844 |
| Pubchem (sid): | 134975411 |
| 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 |
| CHEBI: | View |
| KEGG (GenomeNet): | C14566 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2917.12.5000 |
| None Found |
| emollients | |
| skin conditioning | |
| solvents |
| not found in nature |
| adipic acid diethyl ester | |
| adipic acid, diethyl ester | |
| di-C8-26-alkyl adipates | |
| diethyl hexane dioate | |
| 1,6- | diethyl hexane dioate |
| diethyl hexane-1,6-dioate | |
| diethyl hexanedioate | |
| 1,6- | diethyl hexanedioate |
| diethyl-adipate | |
| ethyl delta-carboethoxyvalerate | |
| hexane dioic acid diethyl ester | |
| hexanedioic acid diethyl ester | |
| hexanedioic acid, 1,6-diethyl ester | |
| hexanedioic acid, C18-28-alkyl esters | |
| hexanedioic acid, di-C8-26-alkyl esters | |
| hexanedioic acid, diethyl ester |
| None found yet. Try the PubMed Search. |
