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Dibutyl Phthalate

PubChem CID: 3026

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Compound Synonyms dibutyl phthalate, 84-74-2, Di-n-butyl phthalate, n-Butyl phthalate, Butyl phthalate, Genoplast B, Palatinol C, Celluflex DPB, DIBUTYLPHTHALATE, Unimoll DB, Staflex DBP, Elaol, Ergoplast FDB, Witcizer 300, Kodaflex DBP, Dibutyl 1,2-benzenedicarboxylate, Hexaplas M/B, Dibutyl-o-phthalate, Phthalic acid dibutyl ester, dibutyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, dibutyl ester, DBP (ester), dibutyl-phthalate, N-Butylphthalate, Ersoplast FDA, Uniflex DBP, Hatcol DBP, Phthalate, di-n-butyl, Dibutyl o-phthalate, RC Plasticizer DBP, Phthalic acid, dibutyl ester, Benzene-o-dicarboxylic acid di-n-butyl ester, o-Benzenedicarboxylic acid, dibutyl ester, Phthalate, dibutyl-, RCRA waste number U069, nutyl phthalate, Caswell No. 292, Monocizer dbp, Plasthall dbp, Vestinol c, Hatco dbp, Phthalate, Butyl, PX 104, Phthalic acid di-n-butyl ester, Phthalate, Dibutyl, Ruifeng vp 201, Corflex 440, NSC 6370, Di n Butyl Phthalate, ortho-Dibutyl phthalate, Yh-1bd2, CCRIS 2676, HSDB 922, Di-n-butylorthophthalate, Di-n-butylester kyseliny ftalove, DTXSID2021781, CHEBI:34687, Dibutyl-1,2-benzenedicarboxylate, Dibutylphthatlate, Palatinol DBP, NSC-6370, EINECS 201-557-4, di-n-butyl phthalate (DBuP), EPA Pesticide Chemical Code 028001, UNII-2286E5R2KE, BRN 1914064, Morflex 240, o-Benzenedicarboxylic acid dibutyl ester, Uniplex 150, Vp-201, 2286E5R2KE, AI-3-00283, MFCD00009441, Benzenedicarboxylic acid dibutyl ester, 1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester, 1,2-Benzenedicarboxylic acid dibutyl ester, CHEMBL272485, DTXCID301781, Benzene-o-dicarboxylic acid, di-n-butyl ester, NSC6370, EC 201-557-4, 1,2-dibutyl benzene-1,2-dicarboxylate, Dibutyl ester of 1,2-benzenedicarboxylic acid, DIBUTYL PHTHALATE (II), DIBUTYL PHTHALATE [II], DIBUTYL PHTHALATE (MART.), DIBUTYL PHTHALATE [MART.], DIBUTYL PHTHALATE (USP-RS), DIBUTYL PHTHALATE [USP-RS], dibutyl phthalate (DBP), CAS-84-74-2, DIBUTYL PHTHALATE (EP MONOGRAPH), DIBUTYL PHTHALATE [EP MONOGRAPH], RAPIDCELLtrade markP, Dibutyl phthalate [NF], SR-05000001549, RCRA waste no. U069, Di-n-butylester kyseliny ftalove [Czech], Bufa, Phthalic acid, bis-butyl ester, Ergoplast FOB, Synolate MD, Bisoflex DBP, Induflex DBP, Mollan B, Dibutyll phthalate, Ersoplast FDA., Dibutyl 1,2-benzene-dicarboxylate, Hatcp DBP, Araldite 502, phthalsauredibutylester, Benzenedicarboxylic acid, dibutyl ester, Ftalato di n-butanolo, Bis-N-butyl phthalate, Sicol 140, Spectrum_001975, Di(1-butyl) phthalate, Phthalsaeure dibutylester, SpecPlus_000628, Dibutyl phthalate, 99%, Spectrum3_000874, Spectrum4_000714, Spectrum5_002068, WITICIZER 300, Epitope ID:138714, WLN: 4OVR BVO2, Dibutyl phthalate, >=99%, Dibutyl phthalate (Standard), SCHEMBL24051, BSPBio_002547, KBioGR_001267, KBioSS_002541, R!C. PLASTICIZER DBP, SPECTRUM330086, MLS002177802, BIDD:ER0641, DivK1c_006724, DIBUTYL PHTHALATE [MI], GTPL6295, DIBUTYL PHTHALATE [HSDB], HY-Y0304R, KBio1_001668, KBio2_002532, KBio2_005100, KBio2_007668, KBio3_002047, BUTYL PHTHALATE [WHO-DD], MSK1114, Dibutyl phthalate, AR, >=99%, Dibutyl phthalate, LR, >=98%, Dibutyl 1, 2-benzenedicarboxylate, Dibutyl-1,2-benzene-dicarboxylate, HMS2091E09, HMS3041E18, Pharmakon1600-00330086, BCP24796, HY-Y0304, Benzol-1,2-dicarbonsauredibutylester, Dibutyl phthalate, Selectophore(TM), Tox21_201729, Tox21_300980, BBL011532, BDBM50371946, NSC755894, STL146650, AKOS005720807, Di(n-butyl) 1,2-benzenedicarboxylate, 1ST1114, CCG-230933, DB13716, NSC-755894, USEPA/OPP Pesticide Code: 028001, NCGC00090769-01, NCGC00090769-02, NCGC00090769-03, NCGC00090769-04, NCGC00090769-05, NCGC00090769-06, NCGC00090769-07, NCGC00090769-08, NCGC00090769-09, NCGC00254882-01, NCGC00259278-01, MSK1114-1000, SMR000777923, SBI-0052568.P002, CS-0013564, NS00010095, P0292, S5377, EN300-77394, 1,2 Benzenedicarboxylic acid, di-n-butyl ester, 1ST1114-1000, Dibutyl phthalate, SAJ special grade, >=98.0%, 1,2 Benzenedicarboxylic acid, bis(n-butyl) ester, Dibutyl phthalate Solution in Hexane, 1000?g/mL, Dibutyl phthalate Solution in Hexane, 1000mug/mL, Q415612, SR-05000001549-1, SR-05000001549-3, BRD-K73477617-001-01-0, BRD-K73477617-001-04-4, BRD-K73477617-001-08-5, Dibutyl phthalate, PESTANAL(R), analytical standard, F0001-2134, Z277540112, Dibutyl phthalate, certified reference material, TraceCERT(R), Dibutyl phthalate, European Pharmacopoeia (EP) Reference Standard, Dibutyl phthalate, United States Pharmacopeia (USP) Reference Standard, Dibutyl Phthalate, Pharmaceutical Secondary Standard, Certified Reference Material, 201-557-4
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 52.6
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Shikimic acids and derivatives, Simple phenolic acids
Deep Smiles CCCCOC=O)cccccc6C=O)OCCCC
Heavy Atom Count 20.0
Classyfire Class Benzene and substituted derivatives
Description DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes, all major producers began eliminating this chemical from nail polishes in the Fall of 2006., Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. Dibutyl phthalate is found in kohlrabi and cloves.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzoic acids and derivatives
Isotope Atom Count 0.0
Molecular Complexity 271.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P07858, P10605, P16473, Q9NUW8, Q9Y468, O75164, Q9UIF8, P83916, Q12809, Q03181, P04150, O94782, Q99700, P43220, P51449, Q9Y6L6, Q9NPD5, Q8WZA2, P05412
Iupac Name dibutyl benzene-1,2-dicarboxylate
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT214, NPT210, NPT50, NPT864
Xlogp 4.7
Superclass Benzenoids
Subclass Benzoic acids and derivatives
Gsk 4 400 Rule True
Molecular Formula C16H22O4
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key DOIRQSBPFJWKBE-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.5
Logs -4.883
Rotatable Bond Count 10.0
State Solid
Logd 3.837
Synonyms 1,2-Benzenedicarboxylate dibutyl ester, 1,2-Benzenedicarboxylic acid dibutyl ester, 1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester, 1,2-Benzenedicarboxylic acid, dibutyl ester, Araldite 502, Benzene-O-dicarboxylate di-N-butyl ester, Benzene-o-dicarboxylic acid di-n-butyl ester, Benzene-o-dicarboxylic acid, di-n-butyl ester, Benzenedicarboxylate dibutyl ester, Benzenedicarboxylic acid dibutyl ester, Benzenedicarboxylic acid, dibutyl ester, BUFA, Butyl phthalate, Butyl phthalic acid, Celluflex DPB, DBP, DBP (ester), Di n butyl phthalate, Di-n-butyl phthalate, Di-n-butyl phthalate (dbup), Di-N-butyl phthalic acid, Di-n-butylester kyseliny ftalove, Di-n-butylorthophthalate, Dibutyl 1, 2-benzenedicarboxylate, Dibutyl 1,2-benzenedicarboxylate, Dibutyl 1,2-benzenedicarboxylic acid, Dibutyl ester of 1,2-benzenedicarboxylic acid, Dibutyl o-phthalate, Dibutyl O-phthalic acid, Dibutyl phthalate, Dibutyl phthalated, Dibutyl phthalic acid, Dibutyl-1,2-benzenedicarboxylate, Dibutyl-o-phthalate, Dibutyl-O-phthalic acid, Dibutyl-phthalate, Dibutyll phthalate, Dibutylphthatlate, Elaol, Ergoplast FDB, Ersoplast fda, Genoplast b, Hatcol DBP, Hexaplas m/b, Kodaflex DBP, Morflex 240, N-butyl phthalate, N-Butyl phthalic acid, N-butylphthalate, O-Benzenedicarboxylate dibutyl ester, O-Benzenedicarboxylic acid dibutyl ester, O-benzenedicarboxylic acid, dibutyl ester, Ortho-dibutyl phthalate, Palatinol c, Palatinol DBP, Phthalate di-N-butyl ester, Phthalate dibutyl ester, Phthalate, butyl, Phthalate, di-n-butyl, Phthalate, dibutyl, Phthalate, dibutyl-, Phthalic acid di-n-butyl ester, Phthalic acid dibutyl ester, Phthalic acid, dibutyl ester, Polycizer DBP, Rapidcelltrade markp, RC plasticizer DBP, Staflex DBP, Uniflex DBP, Unimoll DB, Uniplex 150, Witcizer 300, Benzene-O-dicarboxylic acid di-N-butyl ester, Di-N-butyl phthalate, Dibutyl O-phthalate, Dibutyl-O-phthalate, N-Butyl phthalate, Phthalic acid di-N-butyl ester, Di N butyl phthalate, Phthalate, di-N-butyl, Benzene-O-dicarboxylic acid, di-N-butyl ester, DBP (Ester), Di-N-butyl phthalate (dbup), Di-N-butylester kyseliny ftalove, Di-N-butylorthophthalate, Dibutyl ester OF 1,2-benzenedicarboxylic acid, N-Butylphthalate, O-Benzenedicarboxylic acid, dibutyl ester, ortho-Dibutyl phthalate, RC Plasticizer DBP, Dibutylphthalic acid, buthyl phthalate, butyl phthalate, di-n-butyl phthalate, dibutvl dhthalate, dibutyl phthalate, dibutyl phthalate, dibutyl phthalate18.84, dibutyl phthalateb, dibutylphthalate, n-butyl phthalate
Substituent Name Benzoate ester, Benzylether, Benzoyl, Dicarboxylic acid or derivatives, Carboxylic acid ester, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups cC(=O)OC
Compound Name Dibutyl Phthalate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 278.152
Formal Charge 0.0
Monoisotopic Mass 278.152
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 278.34
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -3.9627576
Inchi InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
Smiles CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Benzoic acid esters
Np Classifier Superclass Phenolic acids (C6-C1)

  • 1. Outgoing r'ship FOUND_IN to/from Achyranthes Bidentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Achyranthes Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Aframomum Melegueta (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199903/04)14:2<109::aid-ffj775>3.0.co;2-m
  • 7. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Amomum Villosum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697780
  • 9. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Arbutus Unedo (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644105
  • 16. Outgoing r'ship FOUND_IN to/from Arctium Lappa (Plant) Rel Props:Reference:https://doi.org/10.22034/ijps.2018.88539.1447
  • 17. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1383858
  • 21. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1246
  • 22. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Camellia Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050106
  • 25. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Reference:ISBN:9788185042114
  • 26. Outgoing r'ship FOUND_IN to/from Cyperus Pilosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Cyperus Rotundus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060404
  • 28. Outgoing r'ship FOUND_IN to/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Echinops Grijsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Euphorbia Humifusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
  • 36. Outgoing r'ship FOUND_IN to/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1292
  • 37. Outgoing r'ship FOUND_IN to/from Lebeckia Plukenetiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006
  • 39. Outgoing r'ship FOUND_IN to/from Leonurus Cardiaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699169
  • 40. Outgoing r'ship FOUND_IN to/from Lepidium Draba (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.974077
  • 41. Outgoing r'ship FOUND_IN to/from Lycopus Lucidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Mimusops Elengi (Plant) Rel Props:Reference:ISBN:9770972795006
  • 43. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Nilgirianthus Ciliatus (Plant) Rel Props:Reference:ISBN:9770972795006
  • 46. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099
  • 47. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697802
  • 48. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1321504
  • 50. Outgoing r'ship FOUND_IN to/from Physocarpus Intermedius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 52. Outgoing r'ship FOUND_IN to/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 53. Outgoing r'ship FOUND_IN to/from Saraca Asoca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 55. Outgoing r'ship FOUND_IN to/from Scorzonera Hispanica (Plant) Rel Props:Reference:ISBN:9788172363093
  • 56. Outgoing r'ship FOUND_IN to/from Scrophularia Buergeriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 57. Outgoing r'ship FOUND_IN to/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 58. Outgoing r'ship FOUND_IN to/from Securigera Securidaca (Plant) Rel Props:Source_db:npass_chem_all
  • 59. Outgoing r'ship FOUND_IN to/from Strophanthus Sarmentosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 60. Outgoing r'ship FOUND_IN to/from Syzygium Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 61. Outgoing r'ship FOUND_IN to/from Tanacetum Cinerariifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730010204
  • 63. Outgoing r'ship FOUND_IN to/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 64. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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