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Bis(2-ethylhexyl) adipate

PubChem CID: 7641

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Compound Synonyms BIS(2-ETHYLHEXYL) ADIPATE, 103-23-1, Di(2-ethylhexyl) adipate, Diethylhexyl adipate, DEHA, Bis(2-ethylhexyl)hexanedioate, Di(2-ethylhexyl)adipate, Octyl adipate, Bis(2-ethylhexyl) hexanedioate, Plastomoll DOA, Vestinol OA, Bisoflex DOA, Crodamol DOA, Effomoll DOA, Kodaflex DOA, Monoplex DOA, BEHA, Truflex DOA, BIS(2-ETHYLHEXYL)ADIPATE, Adipol 2EH, Staflex doa, Uniflex doa, Reomol doa, Wickenol 158, Di-2-ethylhexyl adipate, Lankroflex DOA, Sansocizer DOA, Ergoplast ADDO, Plasthall DOA, Adimoll DO, Mollan S, Flexol A 26, Sicol 250, Hexanedioic acid, bis(2-ethylhexyl) ester, Rucoflex plasticizer doa, Jayflex DOA 2, Kemester 5652, Effomoll DA, Arlamol DOA, Hatcol 2908, WITAMOL 320, Adipic acid, bis(2-ethylhexyl) ester, Flexol plasticizer 10-A, Flexol plasticizer A-26, Morflex 310, Vistone A 10, Di-(2-ethylhexyl) adipate, Octyl adipate (VAN), Adipic acid di(2-ethylhexyl) ester, Effemoll doa, NCI-C54386, Dioctyl adipate (VAN), DOA, CCRIS 236, PX-238, HSDB 343, Bis-(2-ethylhexyl)ester kyseliny adipove, Hexanedioic acid bis(2-ethylhexyl) ester, Palatinol DOA, Monsanto DOA, UNII-MBY1SL921L, EINECS 203-090-1, MBY1SL921L, K 3220, BRN 1803774, DTXSID0020606, CHEBI:34675, Good-rite GP-223, Adipic acid di[2-ethylhexyl]ester, 1,6-bis(2-ethylhexyl) hexanedioate, Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester, NSC-56775, Bis-(2-ethylhexyl)ester kyseliny adipove [Czech], DTXCID40606, MLS002152897, ADIPIC ACID BIS(2-ETHYLHEXYL) ESTER, EC 203-090-1, 4-02-00-01964 (Beilstein Handbook Reference), Adipic acid, bis-2-ethylhexyl ester, DI(2-ETHYLHEXYL) ADIPATE [IARC], SMR001224508, DI-(2-ETHYLHEXYL)ADIPATE [MART.], BIS(2-ETHYLHEXYL)HEXANEDIOATE [HSDB], Bis-(2-ethylhexyl)ester kyseliny adipove (czech), Adipic acid-bis-2-ethylhexylester, Adipic acid di(2-ethylhexyl)ester, DI(2-ETHYLHEXYL) ADIPATE (IARC), 2072051-04-6, CAS-103-23-1, DI-(2-ETHYLHEXYL)ADIPATE (MART.), keme ster 5652, USS 700, NSC 56775, AI3-28579, DOA Plasticizer, Bis(2-ethylhexyl) hexanedio ate, Jayflex DOA, Merrol DOA, Witcizer 412, Flexol A26, MFCD00009496, Adipic acid bis (2-ethylhexyl) ester, Di2ethylhexyl adipate, DIACIZER DOA, i-2-ethylhexyl adipate, Flexol plasticizer 10A, Flexol plasticizer A26, Bis(2ethylhexyl) adipate, di (2-ethylhexyl) adipate, cid_7641, NCIOpen2_007625, SCHEMBL27423, Bis(2ethylhexyl) hexanedioate, Hexadioic acid, dioctyl ester, Hexanedioc acid, dioctyl ester, CHEMBL1414950, BDBM74247, Adipic acid, bis-2-ethylhexyl ester 100 microg/mL in Acetone, Bis(2-ethylhexyl) adipate, 99%, PX238, DIETHYLHEXYL ADIPATE [INCI], NSC56775, Tox21_202231, Tox21_300564, Adipic acid, bis(2ethylhexyl) ester, Adipic acid, di(2-ethylhexyl) ester, Bis(2-ethylhexyl) adipate, >=99%, AKOS015903805, Bis(2ethylhexyl)ester kyseliny adipove, Adipic acid, bis (2-ethylhexyl) ester, CS-W009768, DS-7125, FB62538, NCGC00091185-01, NCGC00091185-02, NCGC00091185-03, NCGC00091185-04, NCGC00254473-01, NCGC00259780-01, 70147-21-6, AC-15178, A0163, NS00008424, WLN: 4Y2 & 1OV4VO1Y4 & 2, Bis(2-ethylhexyl) adipate, >=97.0% (GC), Bis(2-ethylhexyl) adipate, analytical standard, HEXANEDIOIC ACID, DI(2-ETHYLHEXYL) ESTER, Q412835, Bis(2-ethylhexyl) adipate, Selectophore(TM), >=99.0%, Adipic Acid Di(2-ethylhexyl) Ester, Adipic Acid Dioctyl Ester, Di(2-ethylhexyl) Adipate, 203-090-1, 686-861-9
Topological Polar Surface Area 52.6
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 26.0
Description Indirect food additive arising from contact with polymers and adhesives Bis(2-ethylhexyl) adipate or DEHA is a plasticizer. DEHA is an ester of 2-ethylhexanol and adipic acid. Its chemical formula is C22H42O4.
Isotope Atom Count 0.0
Molecular Complexity 320.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16473, Q9NUW8, Q13315, P08684, O75164, Q9UIF8, P10828, P83916, O75496, P11308, P51449
Iupac Name bis(2-ethylhexyl) hexanedioate
Prediction Hob 0.0
Class Fatty Acyls
Target Id NPT210, NPT50, NPT524, NPT109
Xlogp 6.8
Superclass Lipids and lipid-like molecules
Subclass Fatty acid esters
Molecular Formula C22H42O4
Prediction Swissadme 0.0
Inchi Key SAOKZLXYCUGLFA-UHFFFAOYSA-N
Fcsp3 0.9090909090909092
Logs -5.581
Rotatable Bond Count 19.0
State Liquid
Logd 5.451
Synonyms Adimoll do, Adipic acid bis (2-ethylhexyl) ester, Adipic acid di(2-ethylhexyl) ester, Adipic acid di[2-ethylhexyl]ester, Adipic acid, bis(2-ethylhexyl) ester, Adipol 2EH, Ado (lubricating oil), Arlamol doa, BEHA, Bis-(2-ethylhexyl)ester kyseliny adipove, Bis(2-ethylhexyl) adipate, Bis(2-ethylhexyl) hexanedio ate, Bis(2-ethylhexyl) hexanedioate, Bis(2-ethylhexyl)hexanedioate, Bisoflex doa, Crodamol doa, DEHA, Di-(2-ethylhexyl) adipate, Di-2-ethylhexyl adipate, Di(2-ethylhexyl) adipate, Di(2-ethylhexyl)adipate, Diethylhexyl adipate, Dioctyl adipate, Dioctyl adipate (van), DOA, Doa plasticizer, Effemoll doa, Effomoll da, Effomoll doa, Ergoplast addo, Flexol A 26, Flexol A26, Flexol plasticizer 10-A, Flexol plasticizer A-26, Good-rite GP-223, Hatcol 2908, Hexadioic acid, dioctyl ester, Hexanedioc acid, dioctyl ester, Hexanedioic acid bis(2-ethylhexyl) ester, Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester, Hexanedioic acid, bis(2-ethylhexyl) ester, Hexanedioic acid, dioctyl ester, i-2-ethylhexyl adipate, Jayflex doa, Jayflex DOA 2, keme ster 5652, Kemester 5652, Kodaflex doa, Lankroflex doa, Merrol doa, Mollan s, Monoplex doa, Monsanto doa, Morflex 310, Octyl adipate, Octyl adipate (van), Palatinol doa, Plasthall doa, Plastomoll doa, Polycizer 332, Polycizer doa, Reomol doa, Rucoflex plasticizer doa, Sansocizer doa, Sicol 250, Staflex doa, Truflex doa, Uniflex doa, Vestinol OA, Vistone A 10, Wickenol 158, WITAMOL 320, Witcizer 412, Adipic acid bis(2-ethylhexyl) ester, Adipate bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) hexanedioic acid, Di(2-ethylhexyl) adipic acid, Dioctyl adipic acid, Diethylhexyl adipic acid, ado (Lubricating oil), Flexol a 26, Flexol a26, Flexol plasticizer 10-a, Flexol plasticizer a-26, I-2-ethylhexyl adipate, Jayflex doa 2, Keme ster 5652, Mollan S, monsanto Doa, Vestinol oa, Vistone a 10, Adipic acid, dioctyl ester, Diethylhexyladipate, DEHA compound, Di-2-ethyl-hexyl adipate, Bis(2-ethylhexyl) adipic acid
Substituent Name Fatty acid ester, Dicarboxylic acid or derivatives, Carboxylic acid ester, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound
Compound Name Bis(2-ethylhexyl) adipate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 370.308
Formal Charge 0.0
Monoisotopic Mass 370.308
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 370.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Esol -5.1927588
Inchi InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
Smiles CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
Nring 0.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Fatty acid esters

  • 1. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Bauhinia Purpurea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Dalea Purpurea (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Digitalis Purpurea (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Dioscorea Purpurea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Echinacea Pallida (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Echinacea Simulata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Fritillaria Ebeiensis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Galega Purpurea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Gentiana Purpurea (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Ginseng (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Neonauclea Purpurea (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Oxalis Purpurea (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Panax Innovans (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Panax Japonicus (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Panax Notoginseng (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Panax Papyrifer (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Panax Pseudo (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Panax Pseudoginseng (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Panax Schinseng (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Panax Sikkimensis (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Panax Spinosus (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Panax Stipuleanatus (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Rhamnus Purpurea (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Roscoea Purpurea (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Sarracenia Purpurea (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Tephorisa Purpurea (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
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