dioctyl adipate

bis(2-ethylhexyl)adipate (dioctyl adipate)

CAS: 123-79-5 C22 H42 O4 MW: 370.57354000

Identification

Namedioctyl adipate
IUPACdioctyl hexanedioate
CAS Number123-79-5
EINECS204-652-9
FDA UNII2BD76YG9SI
Molecular FormulaC22 H42 O4
Molecular Weight370.57354000
Nikkaji NumberJ45.961E

Regulatory

JECFA Food Flavoring1968 dioctyl adipate
DG SANTE Food Flavourings09.951 bis(2-ethylhexyl)adipate (dioctyl adipate)
FEMA Number4476
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)123-79-5 ; DIOCTYL ADIPATE
FDA Mainterm (IAUFC)123-79-5 ; DIOCTYL ADIPATE
FDA RegulationFDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS

Physical Properties

Appearance colorless clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.92400 to 0.93000 @ 20.00 °C.
Pounds per Gallon - (est). 7.698 to 7.748
Refractive Index 1.44300 to 1.44700 @ 20.00 °C.
Melting Point -70.00 °C. @ 760.00 mm Hg
Boiling Point 396.00 to 398.00 °C. @ 760.00 mm Hg
Acid Value 1.00 max. KOH/g
Flash Point 353.00 °F. TCC ( 178.33 °C. )
logP (o/w) 8.083 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description Minimal odour – used as a solvent especially in candle fragrances

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryfood contact substances for use only as components of articles intended for repeated use
Recommendation for dioctyl adipate usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)6.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)800 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods20.00000
beverages(nonalcoholic)0.10000
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-
Dairy products, excluding products of category 02.0 (01.0)-
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)-
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)-
Meat and meat products, including poultry and game (08.0)-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)6.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)-
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)6.00000

Berje Inc.

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Pell Wall Perfumes

Hand-made fragrances

Pell Wall maintains a broad palette of ingredients & in order to keep stocks fresh & the options wide we also sell from our own stock.

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Penta International Corporation

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The Lermond Company

Your Sourcing Resource

The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.

View All Website 201-896-3300 info@lermond.com

Potential Uses

solvents

Natural Occurrence

not found in nature

Synonyms

adimoll DO adipic acid dioctyl ester adipic acid, dioctyl ester di-N-octyl adipate di(capryl) adipate dicaprylyl adipate dioctyl ester hexanedioic acid dioctyl hexane dioate dioctyl hexane-1,6-dioate dioctyl hexanedioate bis(2- ethylhexyl)adipate (dioctyl adipate) hexane dioic acid dioctyl ester hexanedioic acid dioctyl ester hexanedioic acid, dioctyl ester hexanedioic acid,1,6-dioctyl ester PubMed: Di-(2-ethylhexyl) adipate in selected total diet food composite samples. PubMed: Polythiophene-coated Fe3O4 superparamagnetic nanocomposite: synthesis and application as a new sorbent for solid-phase extraction. PubMed: In vitro dermal absorption of di(2-ethylhexyl) adipate (DEHA) in a roll-on deodorant using human skin. PubMed: Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan. PubMed: The effect of priming solutions and storage time on plasticizer migration in different PVC tubing types--implications for wet storage of ECMO systems. PubMed: Comparison of solidification of floating drop and homogenous liquid-liquid microextractions for the extraction of two plasticizers from the water kept in PET-bottles. PubMed: Collaborative work on evaluation of ovarian toxicity. 9) Effects of 2- or 4-week repeated dose studies and fertility study of di(2-ethylhexyl)adipate (DEHA) in female rats. PubMed: Application of artificial neural network for yield prediction of lipase-catalyzed synthesis of dioctyl adipate. PubMed: Aqueous solubility and Daphnia magna chronic toxicity of di(2-ethylhexyl) adipate. PubMed: The debittering of navel orange juice using polymeric films. PubMed: Plasticizers and their degradation products in the process streams of a large urban physicochemical sewage treatment plant. PubMed: Trace phthalate and adipate esters contaminated in packaged food. PubMed: Migration of di(2-ethylhexyl) adipate and acetyltributyl citrate plasticizers from food-grade PVC film into sweetened sesame paste (halawa tehineh): kinetic and penetration study. PubMed: Toxicity of di(2-ethylhexyl)phthalate (DEHP) and di(2-ethylhexyl)adipate (DEHA) under conditions of renal dysfunction induced with folic acid in rats: enhancement of male reproductive toxicity of DEHP is associated with an increase of the mono-derivative. PubMed: Considerations on ultra-trace analysis of phthalates in drinking water. PubMed: Fungal colonization of soil-buried plasticized polyvinyl chloride (pPVC) and the impact of incorporated biocides. PubMed: Extractables/leachables from plastic tubing used in product manufacturing. PubMed: Plasticizers in Brazilian food-packaging materials acquired on the retail market. PubMed: Metabolites from the biodegradation of di-ester plasticizers by Rhodococcus rhodochrous. PubMed: Amodiaquine polymeric membrane electrode. PubMed: Dietary exposure to chemical migrants from food contact materials: a probabilistic approach. PubMed: Early testicular effects in rats perinatally exposed to DEHP in combination with DEHA--apoptosis assessment and immunohistochemical studies. PubMed: Antiandrogenic effects in male rats perinatally exposed to a mixture of di(2-ethylhexyl) phthalate and di(2-ethylhexyl) adipate. PubMed: Identification and quantification of n-octyl esters of alkanoic and hexanedioic acids and phthalates as urban wastewater markers in biota and sediments from estuarine areas. PubMed: DHEA and DHEA sulfate differentially regulate neural androgen receptor and its transcriptional activity. PubMed: Steroidogenesis in fetal male rats is reduced by DEHP and DINP, but endocrine effects of DEHP are not modulated by DEHA in fetal, prepubertal and adult male rats. PubMed: Dehydroepiandrosterone 7-hydroxylase CYP7B: predominant expression in primate hippocampus and reduced expression in Alzheimer's disease. PubMed: Direct analysis of plasticizers in aqueous samples by atmospheric pressure chemical ionization-tandem mass spectrometry (APCI-MS-MS). PubMed: Estimated daily intake of plasticizers in 1-week duplicate diet samples following regulation of DEHP-containing PVC gloves in Japan. PubMed: Supercritical fluid extraction of potential migrants from paper and board intended for use as food packaging materials. PubMed: [Contents of phthalate in polyvinyl chloride toys]. PubMed: Eleven phthalate esters and di(2-ethylhexyl) adipate in one-week duplicate diet samples obtained from hospitals and their estimated daily intake. PubMed: Effect of Dodecyl Alcohol on the Potentiometric Response of an Isopropyl Xanthate Ion-Selective Electrode. PubMed: Secondary metabolites from a Streptomyces strain isolated from Livingston Island, Antarctica. PubMed: Di(2-ethylhexyl) adipate. PubMed: Migration of di-(2-ethylhexylexyl)adipate plasticizer from food-grade polyvinyl chloride film into hard and soft cheeses. PubMed: Fungal colonization and biodeterioration of plasticized polyvinyl chloride. PubMed: Plasticizers in total diet samples, baby food and infant formulae. PubMed: Plasticizers increase adhesion of the deteriogenic fungus Aureobasidium pullulans to polyvinyl chloride. PubMed: Specific migration of di-(2-ethylhexyl)adipate (DEHA) from plasticized PVC film: results from an enforcement campaign. PubMed: Effect of high-dose electron beam irradiation on the migration of DOA and ATBC plasticizers from food-grade PVC and PVDC/PVC films, respectively, into olive oil. PubMed: Expression of putative fatty acid transporter genes are regulated by peroxisome proliferator-activated receptor alpha and gamma activators in a tissue- and inducer-specific manner. PubMed: Specific migration testing with alternative fatty food simulants. PubMed: Comparison of the effects of di-(2-ethylhexyl)adipate on hepatic peroxisome proliferation and cell replication in the rat and mouse. PubMed: Migration from PVC cling films compared with their field of application. PubMed: Effect of microwave heating on the migration of dioctyladipate and acetyltributylcitrate plasticizers from food-grade PVC and PVDC/PVC films into olive oil and water. PubMed: Migration of dioctyladipate plasticizer from food-grade PVC film into chicken meat products: effect of gamma-radiation. PubMed: Effect of gamma-radiation on migration behaviour of dioctyladipate and acetyltributylcitrate plasticizers from food-grade PVC and PVDC/PVC films into olive oil. PubMed: PVC cling film in contact with cheese: health aspects related to global migration and specific migration of DEHA. PubMed: The occurrence of phthalate ester and di-2-ethylhexyl adipate plasticizers in Canadian packaging and food sampled in 1985-1989: a survey. PubMed: Evaluation of an ammonium ionophore for use in poly(vinyl chloride) membrane ion-selective electrodes: solvent mediator effects. PubMed: An assessment of the dietary uptake of di-2-(ethylhexyl) adipate (DEHA) in a limited population study. PubMed: Metabolism and pharmacokinetics of deuterium-labelled di-2-(ethylhexyl) adipate (DEHA) in humans. PubMed: Genotoxic effects of selected peroxisome proliferators. PubMed: Migration of polyisobutylene from polyethylene/polyisobutylene films into foods during domestic and microwave oven use. PubMed: Microsomal lauric acid hydroxylase activities after treatment of rats with three classical cytochrome P450 inducers and peroxisome proliferating compounds. PubMed: Identification of the proximate peroxisome proliferator(s) derived from di (2-ethylhexyl) adipate and species differences in response. PubMed: Chamber and gavage technique for metabolic studies of earthworms. PubMed: Peroxisome proliferation due to di (2-ethylhexyl) adipate, 2-ethylhexanol and 2-ethylhexanoic acid. PubMed: Non-mutagenicity of 4 metabolites of di(2-ethylhexyl)phthalate (DEHP) and 3 structurally related derivatives of di(2-ethylhexyl)adipate (DEHA) in the Salmonella mutagenicity assay. PubMed: Plasticizer migration in foods. PubMed: Migration testing of plastics and microwave-active materials for high-temperature food-use applications. PubMed: Evaluation of a predictive mathematical model of di-(2-ethylhexyl) adipate plasticizer migration from PVC film into foods. PubMed: Significant increase of 8-hydroxydeoxyguanosine in liver DNA of rats following short-term exposure to the peroxisome proliferators di(2-ethylhexyl)phthalate and di(2-ethylhexyl)adipate. PubMed: Migration from plasticized films into foods. 2. Migration of di-(2-ethylhexyl)adipate from PVC films used for retail food packaging. PubMed: Migration from plasticized films into foods. 1. Migration of di-(2-ethylhexyl)adipate from PVC films during home-use and microwave cooking. PubMed: Stimulation of DNA synthesis in rat and mouse liver by various tumor promoters. PubMed: Alteration of hepatic phospholipids in rats and mice by feeding di-(2-ethylhexyl)adipate and di-(2-ethylhexyl)phthalate. PubMed: Safety evaluation of a barrier cream. PubMed: Di-(2-ethylhexyl)adipate: absorption, autoradiographic distribution and elimination in mice and rats. PubMed: Indirect food additive migration from polymeric food packaging materials. PubMed: In vitro steady-state levels of hydrogen peroxide after exposure of male F344 rats and female B6C3F1 mice to hepatic peroxisome proliferators. PubMed: Comparison of hepatic peroxisome proliferative effect and its implication for hepatocarcinogenicity of phthalate esters, di(2-ethylhexyl) phthalate, and di(2-ethylhexyl) adipate with a hypolipidemic drug. PubMed: Carcinogenic potential of phthalic acid esters and related compounds: structure-activity relationships. PubMed: Comparative chronic toxicities and carcinogenic potentials of 2-ethylhexyl-containing compounds in rats and mice. PubMed: Investigation of the potential for binding of Di(2-ethylhexyl) phthalate (DEHP) and Di(2-ethylhexyl) adipate (DEHA) to liver DNA in vivo. PubMed: Induction of rat hepatic long-chain acyl-CoA hydrolases by various peroxisome proliferators. PubMed: Genotoxicity studies on di-(2-ethylhexyl) phthalate and adipate and toxicity studies on di-(2-ethylhexyl) phthalate in the rat and marmoset. PubMed: Di(2-ethylhexyl)adipate (DEHA): effect on plasma lipids and hepatic cholesterolgenesis in the rat. PubMed: Effects of peroxisome proliferators on fatty acid-binding protein in rat liver. PubMed: Induction of microsomal stearoyl-CoA desaturation by the administration of various peroxisome proliferators. PubMed: Effect of the plasticizer di(2-ethylhexyl) adipate (dioctyladipate, DOA) on lipid metabolism in the rat: I. Inhibition of cholesterolgenesis and modification of phospholipid synthesis. PubMed: Evaluation of emissions from simulated commercial meat wrapping operations using PVC wrap. PubMed: Condensations of the Carcinogenesis Bioassay Technical Reports. PubMed: Di(2-ethylhexyl) adipate. PubMed: Carcinogenesis Bioassay of Di(2-ethylhexyl)adipate (CAS No. 103-23-1) in F344 Rats and B6C3F1 Mice (Feed Study). PubMed: A potassium-selective electrode with solid internal contact. PubMed: Plasticizer migration from polyvinyl chloride film to solvents and foods. PubMed: Elimination, distribution and metabolism of di-(2-ethylhexyl)adipate (DEHA) in rats. PubMed: [Hygienic chemical studies on polyvinyl chloride (V). Migration of plasticizer from soft polyvinyl chloride used for food packaging (author's transl)].