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dioctyl adipate
bis(2-ethylhexyl)adipate (dioctyl adipate)

Supplier Sponsors

CAS Number: 123-79-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-652-9
FDA UNII:2BD76YG9SI
Nikkaji Web:J45.961E
XlogP3-AA:7.40 (est)
Molecular Weight:370.57354000
Formula:C22 H42 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:food contact substances for use only as components of articles intended for repeated use
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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:1968 dioctyl adipate
FLAVIS Number:09.951 (Old)
DG SANTE Food Flavourings:09.951 bis(2-ethylhexyl)adipate (dioctyl adipate)
FEMA Number:4476 dioctyl adipate
FDA:No 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 Regulation:
FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS
Subpart C--Substances for Use Only as Components of Articles Intended for Repeated Use
Sec. 177.2600 Rubber articles intended for repeated use.
 
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
 water, 0.78 mg/L @ 22 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Pell Wall Perfumes
DOA
Odor Description:Minimal odour used as a solvent especially in candle fragrances
Specialist neutral solvent, non-flammable and particularly useful for fragrances intended for use in candles because it is compatible with most waxes and does not cause wick blocking or burning problems as some other solvents can. Comparative tests with DEP and IPM have shown that an otherwise identical fragrance performs better, when the candle is burning, if DOA is used as the solvent compared to the other two. Performance in cold throw was similar for all three.
 
Cosmetic Information:
None found
 
Suppliers:
Allan Chemical
Dioctyl Adipate
Axsyn
For experimental / research use only.
Hexanedioic acid,1,6-dioctyl ester
BOC Sciences
For experimental / research use only.
Dioctyl Adipate 98%
Global Essence
Dioctyl Adipate
HallStar
MONOPLEX® DOA
Odor: characteristic
Use: MONOPLEX DOA is a highly efficient monomeric ester plasticizer, which imparts excellent low-temperature flexibility to compounds. Compounds plasticized with MONOPLEX DOA show very good heat and light stability. MONOPLEX DOA is outstanding among the adipates on the market for low odor and taste characteristics. In PVC food packaging formulations, a blend of MONOPLEX DOA and PARAPLEX® G-62 give an ideal combination of clarity, low-temperature properties, low taste and odor, and good stabilization against light and heat. In plastisols, MONOPLEX DOA offers low initial viscosity and excellent viscosity stability. MONOPLEX DOA is often used to improve the viscosity and viscosity-stability characteristics of phthalate based plastisols.
HallStar
PLASTHALL® DOA
Odor: characteristic
Use: PLASTHALL DOA is a highly efficient monomeric ester plasticizer, which imparts excellent low-temperature flexibility to compounds. Compounds plasticized with PLASTHALL DOA show very good heat and light stability. PLASTHALL DOA is chemically the same as MONOPLEX® DOA but with looser specifications on color and acid value. In plastisols, PLASTHALL DOA offers low initial viscosity and excellent viscosity stability PLASTHALL DOA is often used to improve the viscosity and viscosity-stability characteristics of phthalate based plastisols.
Inoue Perfumery
dioctyl adipate
Pell Wall Perfumes
DOA
Odor: Minimal odour – used as a solvent especially in candle fragrances
Use: Specialist neutral solvent, non-flammable and particularly useful for fragrances intended for use in candles because it is compatible with most waxes and does not cause wick blocking or burning problems as some other solvents can. Comparative tests with DEP and IPM have shown that an otherwise identical fragrance performs better, when the candle is burning, if DOA is used as the solvent compared to the other two. Performance in cold throw was similar for all three.
Penta International
DIOCTYL ADIPATE
The Lermond Company
DIOCTYL ADIPATE
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: food contact substances for use only as components of articles intended for repeated use
Recommendation for dioctyl adipate usage levels up to:
 not 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 Concern:1800 (μg/person/day)
Structure Class: I
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 ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): 0.100002.00000
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: --
 
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/kgmaximum usage mg/kg
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): --
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): 6.0000010.00000
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): 6.0000010.00000
 
Safety References:
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):

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
NLM Hazardous Substances Data Bank:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):123-79-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31271
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
dioctyl hexanedioate
Chemidplus:0000123795
 
References:
 dioctyl hexanedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:123-79-5
Pubchem (cid):31271
Pubchem (sid):134974745
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
HMDB (The Human Metabolome Database):HMDB41619
FooDB:FDB021780
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:Dioctyl adipate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 solvents
 
Occurrence (nature, food, other):note
 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
 

Articles:

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)].
 
Notes:
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