Diisobutyl Adipate

PubChem CID: 8831

Connections displayed (default: 10).

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Compound Synonyms	DIISOBUTYL ADIPATE, 141-04-8, Bis(2-methylpropyl) hexanedioate, Isobutyl adipate, Adipic acid, diisobutyl ester, Ftaflex DIBA, Hexanedioic acid, bis(2-methylpropyl) ester, Plasthall DIBA, Diisobutyl hexanedioate, Adipic acid bis(2-methylpropyl) ester, Hexanedioic acid, 1,6-bis(2-methylpropyl) ester, Adipic Acid Diisobutyl Ester, NSC 6343, HSDB 345, Hexanedioic acid, diisobutyl ester, UNII-8OPY05ZY7S, EINECS 205-450-3, 8OPY05ZY7S, MFCD00053722, BRN 1791084, CCRIS 8265, CRODAMOL DIBA, DTXSID9036690, MATLUBE DIBA, AI3-00995, DUB DIBA, KAK DIBA, DBE-IB (Salt/Mix), NSC-6343, 1,6-bis(2-methylpropyl) hexanedioate, AEC DIISOBUTYL ADIPATE, HALLTRESS DIBA SPECIAL, DTXCID7016690, FEMA NO. 4475, CHEBI:34708, DIISOBUTYL ADIPATE [HSDB], 4-02-00-01962 (Beilstein Handbook Reference), ADIPIC ACID DI-ISO-BUTYL ESTER, diisobutyladipate, Di-iso-butyl adipate, Adipic acid, bis(2-methylpropyl) ester, Diisobutyl adipate, 99%, Bis(2-methylpropyl) ester, SCHEMBL42941, BIDD:ER0364, Bis(2methylpropyl) hexanedioate, di(2-methyl-1-propyl) adipate, CHEMBL3184260, DIISOBUTYL ADIPATE [INCI], NSC6343, Tox21_300353, Adipic acid bis(2methylpropyl) ester, LMFA07010834, MSK002110, AKOS015839639, Diisobutyl adipate, analytical standard, NCGC00248003-01, NCGC00254278-01, CAS-141-04-8, SY048892, Hexanedioic acid, bis(2methylpropyl) ester, 1ST002110, MSK002110-1000, A0706, CS-0090816, NS00008384, D97831, Hexanedioic acid 1,6-bis(2-methylpropyl) ester, 1ST002110-1000, Diisobutyl adipate Solution in Hexane, 1000?g/mL, Diisobutyl adipate Solution in Hexane, 1000mug/mL, Q27116236, 205-450-3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	18.0
Description	Food additive [Goodscents]
Isotope Atom Count	0.0
Molecular Complexity	220.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	bis(2-methylpropyl) hexanedioate
Prediction Hob	1.0
Class	Fatty Acyls
Xlogp	3.2
Superclass	Lipids and lipid-like molecules
Subclass	Fatty acid esters
Molecular Formula	C14H26O4
Prediction Swissadme	0.0
Inchi Key	RDOFJDLLWVCMRU-UHFFFAOYSA-N
Fcsp3	0.8571428571428571
Logs	-3.925
Rotatable Bond Count	11.0
Logd	4.223
Synonyms	Bis(2-methylpropyl) ester, Bis(2-methylpropyl) hexanedioate, Diisobutyl adipate, Hexanedioic acid, 9CI, Bis(2-methylpropyl) ester, Diisobutyl adipic acid, Hexanedioic acid, 9ci, DIBA, 5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one
Compound Name	Diisobutyl Adipate
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	258.183
Formal Charge	0.0
Monoisotopic Mass	258.183
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	258.35
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Esol	-2.7633195999999995
Inchi	InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
Smiles	CC(C)COC(=O)CCCCC(=O)OCC(C)C
Nring	0.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Fatty acid esters

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
13. Outgoing r'ship FOUND_IN to/from Astilbe Koreana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Astilbe Macroflora (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Astilbe Myriantha (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Astilbe Odontophylla (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Astilbe Rivularis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Boerhavia Chinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Clematis Chinensis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

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Diisobutyl Adipate

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Phytochemical Properties

Associated Connections 77

Plant Connections 77