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Record Information
StatusExpected but not Quantified
Creation Date2012-09-12 01:48:18 UTC
Update Date2019-07-23 06:31:56 UTC
Secondary Accession Numbers
  • HMDB40270
Metabolite Identification
Common NameDiethylhexyl adipate
DescriptionDiethylhexyl adipate, also known as DEHA or dioctyl adipate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Diethylhexyl adipate is an extremely weak basic (essentially neutral) compound (based on its pKa). Diethylhexyl adipate is a potentially toxic compound.
Adipic acid bis(2-ethylhexyl) esterChEBI
Bis(2-ethylhexyl) hexanedioateChEBI
Di(2-ethylhexyl) adipateChEBI
Dioctyl adipateChEBI
Adipate bis(2-ethylhexyl) esterGenerator
Bis(2-ethylhexyl) hexanedioic acidGenerator
Di(2-ethylhexyl) adipic acidGenerator
Dioctyl adipic acidGenerator
Diethylhexyl adipic acidGenerator
Adimoll doHMDB
Adipic acid bis (2-ethylhexyl) esterHMDB
Adipic acid di(2-ethylhexyl) esterHMDB
Adipic acid di[2-ethylhexyl]esterHMDB
Adipic acid, bis(2-ethylhexyl) esterHMDB
Adipol 2EHHMDB
Ado (lubricating oil)HMDB
Arlamol doaHMDB
Bis(2-ethylhexyl) adipateHMDB
Bis(2-ethylhexyl) hexanedio ateHMDB
Bis-(2-ethylhexyl)ester kyseliny adipoveHMDB
Bisoflex doaHMDB
Crodamol doaHMDB
Di-(2-ethylhexyl) adipateHMDB
Di-2-ethylhexyl adipateHMDB
Doa plasticizerHMDB
Effemoll doaHMDB
Effomoll daHMDB
Effomoll doaHMDB
Ergoplast addoHMDB
Flexol a 26HMDB
Flexol a26HMDB
Flexol plasticizer 10-aHMDB
Flexol plasticizer a-26HMDB
Good-rite GP-223HMDB
Hatcol 2908HMDB
Hexadioic acid, dioctyl esterHMDB
Hexanedioc acid, dioctyl esterHMDB
Hexanedioic acid bis(2-ethylhexyl) esterHMDB
Hexanedioic acid, 1,6-bis(2-ethylhexyl) esterHMDB
Hexanedioic acid, bis(2-ethylhexyl) esterHMDB
Hexanedioic acid, dioctyl esterHMDB
I-2-ethylhexyl adipateHMDB
Jayflex doaHMDB
Jayflex doa 2HMDB
Keme ster 5652HMDB
Kemester 5652HMDB
Kodaflex doaHMDB
Lankroflex doaHMDB
Merrol doaHMDB
Mollan SHMDB
Monoplex doaHMDB
Monsanto doaHMDB
Morflex 310HMDB
Octyl adipateHMDB
Plasthall doaHMDB
Plastomoll doaHMDB
Polycizer 332HMDB
Polycizer doaHMDB
Reomol doaHMDB
Rucoflex plasticizer doaHMDB
Sansocizer doaHMDB
Sicol 250HMDB
Staflex doaHMDB
Truflex doaHMDB
Uniflex doaHMDB
Vestinol oaHMDB
Vistone a 10HMDB
Wickenol 158HMDB
Witcizer 412HMDB
Adipic acid, dioctyl esterHMDB
DEHA compoundHMDB
Di-2-ethyl-hexyl adipateHMDB
Diethylhexyl adipateChEBI
Bis(2-ethylhexyl) adipic acidGenerator
Chemical FormulaC22H42O4
Average Molecular Weight370.5665
Monoisotopic Molecular Weight370.308309832
IUPAC Name1,6-bis(2-ethylhexyl) hexanedioate
Traditional NameBEHA
CAS Registry Number103-23-1
InChI Identifier
Chemical Taxonomy
Description belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid esters
Alternative Parents
  • Fatty acid ester
  • Dicarboxylic acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors

Route of exposure:


Biological location:


Naturally occurring process:


Industrial application:

Biological role:

Physical Properties
Experimental Properties
Melting Point-67.8 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.00078 mg/mL at 22 °CNot Available
LogPNot AvailableNot Available
Predicted Properties
Water Solubility0.00017 g/LALOGPS
pKa (Strongest Basic)-6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity106.57 m³·mol⁻¹ChemAxon
Polarizability46.48 ųChemAxon
Number of Rings0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-00fr-1945000000-cc312ed1f7d3b6214b1cSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0adi-8920000000-303185c662d6b7d184b4Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-06vl-9700000000-a1893b9ef5a3a647a25aSpectrum
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-00fr-1945000000-cc312ed1f7d3b6214b1cSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0adi-8920000000-303185c662d6b7d184b4Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-06vl-9700000000-a1893b9ef5a3a647a25aSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-08fs-9642000000-40c38cf97ee1f1a1b5d9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03k9-1928000000-198268d917169e5480d2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-5921000000-369f893d83bfd0827a56Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03dl-9500000000-e726642ac9b032e22361Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014r-0469000000-072847ae331b4873e960Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-07g0-1963000000-e82858fd73c3ac193552Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002b-9820000000-a4fc6f575c076a3ca88eSpectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB019988
KNApSAcK IDNot Available
Chemspider ID7358
KEGG Compound IDC14240
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBis(2-ethylhexyl)_adipate
METLIN IDNot Available
PubChem Compound7641
PDB IDNot Available
ChEBI ID34675
Food Biomarker OntologyNot Available
VMH IDNot Available
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.