Butylated Hydroxytoluene
PubChem CID: 31404
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| Compound Synonyms | 2,6-Di-tert-butyl-4-methylphenol, 128-37-0, Butylhydroxytoluene, 2,6-Di-tert-butyl-p-cresol, 2,6-Di-t-butyl-4-methylphenol, Ionol, DBPC, Stavox, BHT, Impruvol, Ionol CP, Dalpac, Deenax, Dibunol, Ionole, Kerabit, Topanol, Vianol, Antioxidant KB, Antioxidant 4K, Sumilizer BHT, Topanol O, Topanol OC, Vanlube PC, Antioxidant 29, Antioxidant 30, Antioxidant DBPC, Sustane BHT, Tenamene 3, Vanlube PCX, 2,6-ditert-butyl-4-methylphenol, Nonox TBC, Tenox BHT, Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, Chemanox 11, Agidol, Catalin CAO-3, Ionol 1, Advastab 401, 3,5-Di-tert-butyl-4-hydroxytoluene, BUKS, Parabar 441, Antrancine 8, Vulkanox KB, Catalin antioxydant 1, 2,6-Di-tert-butyl-4-cresol, Ionol (antioxidant), Paranox 441, 2,6-Bis(1,1-dimethylethyl)-4-methylphenol, Antioxidant MPJ, Antioxidant 4, Alkofen BP, AO 4K, CAO 1, CAO 3, Di-tert-butyl-p-cresol, Di-tert-butyl-p-methylphenol, Swanox BHT, Antox QT, Tenamen 3, Agidol 1, Antioxidant 264, Bht (food grade), o-Di-tert-butyl-p-methylphenol, Antioxidant T 501, Ional, Nocrac 200, AO 29, NCI-C03598, 2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene, 2,6-Di-tert-butyl-p-methylphenol, 2,6-Di-terc.butyl-p-kresol, Dbpc (technical grade), 4-Hydroxy-3,5-di-tert-butyltoluene, FEMA No. 2184, 4-Methyl-2,6-tert-butylphenol, Butylhydroxytoluenum, Di-tert-butylcresol, AOX 4K, Dibutylhydroxytoluene, 2,6-ditert-butyl-4-methyl-phenol, Ionol CP-antioxidant, P 21, 2,6-DI-T-BUTYL-P-CRESOL, 4-Methyl-2,6-di-tert-butylphenol, AOX 4, Butyl hydroxy toluene, CCRIS 103, MFCD00011644, Popol, HSDB 1147, BHT 264, Bht(food grade), NSC 6347, NSC-6347, 4-Methyl-2,6-di-terc. butylfenol, EINECS 204-881-4, Ionol BHT, Ralox BHT, 2,6-Di-tert-butyl-4-hydroxytoluene, 2,6-Di-tert-butyl-4-methyl-phenol, 1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene, 2,6-ditertiary-butyl-p-cresol, Dbpc(technical grade), DTXSID2020216, E321, CHEBI:34247, 2,6-Di-tert-butyl-4-methylhydroxybenzene, AI3-19683, p-Cresol, 2,6-di-tert-butyl-, INS-321, 1P9D0Z171K, 2,6-bis(tert-butyl)-4-methylphenol, 2,6-Di-tert-butylcresol, CHEMBL146, Di-tert-Butyl-4-methylphenol, DTXCID20216, INS NO.321, E-321, FEMA 2184, NSC6347, 2,6-di-tert-butyl-4-methyl phenol, Phenol, 2,6-di-tert-butyl-4-methyl-, NCGC00091761-03, Tonarol, Toxolan P, Caswell No. 291A, Annulex BHT, BUTYLHYDROXYTOLUENE (EP MONOGRAPH), BUTYLHYDROXYTOLUENE [EP MONOGRAPH], CAS-128-37-0, Butylohydroksytoluenu, Butylohydroksytoluenu [Polish], Di-tert-butyl-p-cresol (VAN), di-tert-butyl-methylphenol, Di tert butyl methylphenol, 2,6-Di-terc.butyl-p-kresol [Czech], EPA Pesticide Chemical Code 022105, 2,6 Di tert butyl p cresol, UNII-1P9D0Z171K, 2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3, 4-Methyl-2,6-di-terc. butylfenol [Czech], 2,6 Di t butyl 4 methylphenol, Lowinox BHT, Nipanox BHT, BHT Swanox, BHT, food grade, 4-Methyl-2,6-di-t-butyl-phenol, 2, food grade, 2,6 Di tert butyl 4 methylphenol, 3IM, Dibutyl-para-cresol, NAUGARD BHT, PERMANAX BHT, TOPANOL BHT, YOSHINOX BHT, ANTAGE BHT, TOPANOL OL, VANOX PC, IONOL K, Spectrum_001790, SpecPlus_000768, CATALIN CAO 3, Methyldi-tert-butylphenol, Spectrum3_001849, Spectrum5_001612, Hydagen DEO (Salt/Mix), BHT [FCC], LUBRIZOL 817, ULTRANOX 226, EC 204-881-4, 2,6-di-Butyl-para-cresol, 2.6-di-t-butyl-p-cresol, SCHEMBL3950, 2,6-ditert-butyl-p-cresol, p-Cresol,6-di-tert-butyl-, Di-tert-Butylparamethylphenol, BSPBio_003238, KBioSS_002281, 2,6-di-tert.butyl-p-cresol, IONOL 330, MLS000069425, BIDD:ER0031, DivK1c_006864, P 21 (PHENOL), SPECTRUM1600716, 2,6-bis-tert-butyl-p-cresol, 2,6-di-tert-butyl-paracresol, 2,6-di-tert-butylmethylphenol, 2,6-di-tert. butyl-p-cresol, 2,6-di-tert.-butyl-p-cresol, T 501 (PHENOL), 2,6-di-tert-butyl-para-cresol, 2,6-di-tert-Butyl-methylphenol, 2,6-ditertbutyl-4-methylphenol, 2,6-di-t butyl-4-methylphenol, 2.6-di-t-butyl-4-methylphenol, HY-Y0172R, KBio1_001808, KBio2_002280, KBio2_004848, KBio2_007416, KBio3_002738, 2,6-di-tert-butyl-4-methylenol, 2,6-di-tert-butyl-4methylphenol, 2,6-di-tert-butyl4-methylphenol, 2,6-di-tertbutyl-4-methylphenol, 2,6-ditert.butyl-4-methylphenol, BHT1506, MSK2302, 2,6-Di(tert-butyl)hydroxytoluene, 18 - Anti-oxidants in copra oil, 2,6-di(t-butyl)-4-methylphenol, 2,6-di-t- butyl-4-methylphenol, 2,6-di-t-butyl 4-methyl phenol, 2,6-di-t-butyl-4-methyl phenol, 2,6-di-t-butyl-4-methyl-phenol, 3,5-di-t-butyl-4-hydroxytoluene, HMS2091E21, HMS2231M22, HMS3369G17, HMS3750M21, Pharmakon1600-01600716, 2,1-dimethylethyl)-4-methylphenol, 2,6-di-tert-butyl 4-methylphenol, 2,6-di-tert-butyl-4 methylphenol, 2,6-di-tert-butyl4-methyl phenol, 2,6-di-tert.butyl-4-methylphenol, 2,6-ditert.-butyl-4-methylphenol, 2.6-di-tert-butyl-4-methylphenol, 4-methyl-2,6-di-tert.butylphenol, Butylated hydroxytoluene (Standard), 2,6-di-ter-butyl-4-methyl-phenol, 2,6-Di-tert.-Butyl4-methylphenol, 2,6-ditertiarybutyl-4-methylphenol, 2.6-di- t-butyl- 4-methylphenol, HY-Y0172, STR04334, 2,6 -di-tert-butyl-4-methylphenol, 2,6-di(tert-butyl)-4-methylphenol, 2,6-Di-tert-butyl-p-cresol, 8CI, 2,6-di-tert.-butyl-4-methylphenol, Tox21_113537, Tox21_201093, Tox21_303408, 2,6-di-tert-butyl-p-cresol (BHT), 2,6-Di-tert-butyl-para-methylphenol, BDBM50079507, NSC759563, s6202, STL277184, 2,6-di-tert. butyl-4-methyl phenol, 2,6-Di-(tert-butyl)-4-methylphenol, AKOS000269037, Tox21_113537_1, 1ST2302, CCG-207937, CS-W020053, FD22551, NSC-759563, 2,6-TERT-BUTYL-4-METHYLPHENOL, NCGC00091761-01, NCGC00091761-02, NCGC00091761-04, NCGC00091761-05, NCGC00091761-06, NCGC00091761-07, NCGC00257275-01, NCGC00258645-01, AC-10553, DA-51483, MSK2302-1000, SMR000059076, 2,6-Di-tert-butyl-4-methylphenol (BHT), 2,6-Di-tert-butyl-4-methylphenol, 99%, BUTYLHYDROXYTOLUENUM [WHO-IP LATIN], SBI-0052890.P002, 4-HYDROXY-3,5-DI-T-BUTYL-TOLUENE, 2,6-Di-tert-butyl-4-methylphenol, >=99%, D0228, NS00010740, Phenol,6-bis(1,1-dimethylethyl)-4-methyl-, T 501, 2,6-bis-(1,1-dimethylethyl)-4-methylphenol, 4-Methyl-2,6- di(1,1-dimethylethyl)phenol, 4-METHYL-2,6-DITERTIARY-BUTYL-PHENOL, EN300-52982, PK04_181024, 1ST2302-1000, 2,6-Di-tert-butyl-1-hydroxy-4-methyl benzene, D02413, D77866, MLS-0146297.0001, AB00053233_09, Phenol, 3,5-bis(1,1-dimethylethyl)-4-methyl-, 2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI, 2,6-Di-tert-butyl-4-methylphenol, puriss., 99%, AC-907/25014329, Q221945, SR-01000735918, SR-01000735918-2, 9FC4DFC8-480D-487C-A74A-2EC9EECE92C4, BENZENE,1,3-DITERT.BUTYL,2-HYDROXY,5-METHYL, BRD-K53153417-001-01-3, BRD-K53153417-001-06-2, BRD-K53153417-001-10-4, F0001-0395, Z764922868, 2,6-Di-tert-butyl-4-methylphenol, purum, >=99.0% (GC), WLN: 1X1 & 1 & R BQ E1 CX1 & 1 & 1, 2,6-Di-tert-butyl-4-methylphenol, >=99.0% (GC), powder, 2,6-Di-tert-butyl-4-methylphenol, SAJ first grade, >=99.0%, 2,6-Di-tert-butyl-4-methylphenol, tested according to Ph.Eur., 3,5-Di-tert-4-butylhydroxytoluene (BHT), analytical standard, 2,6-Di-tert-butyl-4-methylphenol 1000 microg/mL in Acetonitrile, 2,6-Di-tert-butyl-4-methylphenol Solution in Methanol, 1000?g/mL, 2,6-Di-tert-butyl-4-methylphenol Solution in Methanol, 1000mug/mL, Butylhydroxytoluene, European Pharmacopoeia (EP) Reference Standard, 2,6-Bis(1,1-dimethylethyl)-4-methylphenol, BHT, Butylated hydroxytoluene, 2,6-Di-tert-butyl-4-methylphenol, certified reference material, TraceCERT(R), 2,6-DI-TERT-BUTYL-P-CRESOL2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYL-PHENOL, 204-881-4, InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccccc6)CC)C)C)))O))CC)C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Antioxidant, used in cosmetics, foods and pharmaceuticals Butylated hydroxytoluene (BHT), also known as butylhydroxytoluene, is a lipophilic (fat-soluble) organic compound that is primarily used as an antioxidant food additive (E number E321) as well as an antioxidant additive in cosmetics, pharmaceuticals, jet fuels, rubber, petroleum products, electrical transformer oil, and embalming fluid. 2,6-Di-tert-butyl-4-methylphenol is found in soft-necked garlic. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08170, n.a., P00915, P00918, Q16637, P00352, P06746, P11473, P19793, Q96RI1, O89049, Q12809, P19224, O60656, P19838, O75496, Q77YF9, P10145, Q07869, Q9NUW8, Q03431, Q16236, P53350, P0DTD1, P04792, Q03181, P05412 |
| Iupac Name | 2,6-ditert-butyl-4-methylphenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT947, NPT233, NPT93, NPT94, NPT59 |
| Xlogp | 5.3 |
| Superclass | Benzenoids |
| Subclass | Toluenes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.6 |
| Logs | -5.072 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 4.154 |
| Synonyms | 2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI, 2,6-Di-t-butyl-4-methylphenol, 2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene, 2,6-Di-tert-butyl-4-cresol, 2,6-Di-tert-butyl-P-cresol, 2,6-Di-tert-butyl-p-cresol, 8CI, BHT, Butyl hydroxy toluene, Butylated hydroxytoluene, Butylhydroxytoluene, E321, FEMA 2184, Ionol, Popol, 2,6-Di-tert-butyl-p-cresol, 2,6 Di t butyl 4 methylphenol, 2,6 Di tert butyl 4 methylphenol, 2,6 Di tert butyl p cresol, 4 Methyl 2,6 ditertbutylphenol, 4-Methyl-2,6-ditertbutylphenol, Di tert butyl methylphenol, Dibunol, Hydroxytoluene, butylated, Ionol (BHT), Di-tert-butyl-methylphenol, 2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9ci, 2,6-Di-tert-butyl-P-cresol, 8ci, e321, 2,6-Bis(tert-butyl)-4-methylphenol, 2,6-Di(tert-butyl)hydroxytoluene, 2,6-Di-tert-butyl-4-hydroxytoluene, 2,6-Di-tert-butyl-4-methyl phenol, 2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene, 2,6-Di-tert-butyl-4-methylhydroxybenzene, 2,6-Di-tert-butyl-4-methylphenol, 2,6-Di-tert-butyl-p-cresole, 2,6-Di-tert-butyl-p-methylphenol, 2,6-Di-tert-butylcresol, 2,6-Di-tert-butylmethylphenol, 2,6-Ditertbutyl paracresol, 2,6-tert-Butyl-4-methylphenol, 3,5-Bis(1,1-dimethylethyl)-4-hydroxytoluene, 3,5-Di-tert-butyl-4-hydroxytoluene, 3,5-Di-tert-butyl-p-hydroxytoluene, 4-Hydroxy-3,5-di-tert-butyltoluene, 4-Methyl-2,6-bis(1,1-dimethylethyl)phenol, 4-Methyl-2,6-di-tert-butylphenol, 4-Methyl-2,6-ditertbutyl phenol, Di-tert-Butyl-4-methylphenol, Di-tert-butyl-p-cresol, Di-tert-butylcresol, Dibutyl paracresol, Dibutylated hydroxytoluene, Dibutylcresol, Dibutylhydroxytoluene, o-Di-tert-butyl-p-methylphenol, 2, 6-di-tert-butyl- p-cresol, 2,6-di-tert-butyl-4-methylphenol, 2-6-ditert-butyl-4-methyl-phenol, buthylhydroxy tholuene, butylated hydroxytoluene, butylated hydroxytoluene, topanol, vianol, butylated hydroxytoulene, butylatedhydroxytoluene, di-ter-butyl p-cresol, di-ter-butyl-p-cresol, ionol |
| Substituent Name | Nitrotoluene, Phenylpropane, P-cresol, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | cO |
| Compound Name | Butylated Hydroxytoluene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| 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 | -4.564707199999999 |
| Inchi | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| Smiles | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
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FOUND_INto/from Alstonia Muelleriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1559106 - 5. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1257370 - 6. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Artemisia Cina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
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FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
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FOUND_INto/from Coreopsis Nodosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Crithmum Maritimum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060205 - 22. Outgoing r'ship
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FOUND_INto/from Ixora Finlaysoniana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1029990 - 37. Outgoing r'ship
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FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Rhaponticum Uniflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Senecio Paludaffinis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 54. Outgoing r'ship
FOUND_INto/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643837 - 55. Outgoing r'ship
FOUND_INto/from Tetraclinis Articulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698865 - 56. Outgoing r'ship
FOUND_INto/from Trigonella Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 57. Outgoing r'ship
FOUND_INto/from Tripolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 58. Outgoing r'ship
FOUND_INto/from Uvaria Calamistrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063 - 60. Outgoing r'ship
FOUND_INto/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 61. Outgoing r'ship
FOUND_INto/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all