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2,6-di-tert-butyl-4-methylphenol
- Family: Fungi - Hypocreaceae
- Kingdom: Fungi
-
Class: Phenolic
- Subclass: Methylphenol
| Canonical Smiles | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
|---|---|
| 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 |
| InChIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Formula | C15H24O |
| HBA | 1 |
| HBD | 1 |
| MW | 220.36 |
| Rotatable Bonds | 0 |
| TPSA | 20.23 |
| LogP | 4.3 |
| Number Rings | 1 |
| Number Aromatic Rings | 1 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.6 |
| Exact Mass | 220.18 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Beauveria bassiana | Cordycipitaceae | Fungi | 176275 |
| 2 | Hypocrea lixii | Hypocreaceae | Fungi | 1491472 |
Showing of synonyms
2,6-di-tert-butyl-4-methylphenol
Butylhydroxytoluene
2,6-Di-t-butyl-4-methylphenol
Ionol
DBPC
Stavox
Impruvol
Ionol CP
Dalpac
Deenax
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
Nonox TBC
Tenox BHT
Chemanox 11
Agidol
Catalin CAO-3
Ionol 1
Advastab 401
BUKS
Parabar 441
Antrancine 8
Vulkanox KB
Catalin antioxydant 1
2,6-Di-tert-butyl-4-cresol
2,6-Bis(1,1-dimethylethyl)-4-methylphenol
Antioxidant MPJ
Antioxidant 4
Alkofen BP
AO 4K
CAO 1
CAO 3
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
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
Butylhydroxytoluenum
Di-tert-butylcresol
AOX 4K
Dibutylhydroxytoluene
Ionol CP-antioxidant
P 21
AOX 4
CCRIS 103
Popol
HSDB 1147
BHT 264
NSC 6347
NSC-6347
EINECS 204-881-4
Ionol BHT
Ralox BHT
2,6-Di-tert-butyl-4-hydroxytoluene
2,6-ditertiary-butyl-p-cresol
DTXSID2020216
CHEBI:34247
2,6-Di-tert-butyl-4-methylhydroxybenzene
AI3-19683
INS-321
1P9D0Z171K
2,6-bis(tert-butyl)-4-methylphenol
2,6-Di-tert-butylcresol
Di-tert-Butyl-4-methylphenol
DTXCID20216
E-321
FEMA 2184
NSC6347
204-881-4
BUTYLHYDROXYTOLUENE (EP MONOGRAPH)
BUTYLHYDROXYTOLUENE [EP MONOGRAPH]
Di-tert-butyl-methylphenol
Di tert butyl methylphenol
2,6 Di tert butyl p cresol
2,6 Di t butyl 4 methylphenol
2,6 Di tert butyl 4 methylphenol
NAUGARD BHT
PERMANAX BHT
TOPANOL BHT
YOSHINOX BHT
ANTAGE BHT
TOPANOL OL
VANOX PC
IONOL K
CATALIN CAO 3
LUBRIZOL 817
ULTRANOX 226
IONOL 330
P 21 (PHENOL)
2,6-di-tert-butylmethylphenol
T 501 (PHENOL)
BHT1506
2,6-TERT-BUTYL-4-METHYLPHENOL
4-HYDROXY-3,5-DI-T-BUTYL-TOLUENE
T 501
Ao 4
Dbmp
128-37-0
2,6-Di-tert-butyl-p-cresol
BHT
Dibunol
2,6-ditert-butyl-4-methylphenol
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
3,5-Di-tert-butyl-4-hydroxytoluene
Ionol (antioxidant)
Paranox 441
Di-tert-butyl-p-cresol
Ional
FEMA No. 2184
4-Methyl-2,6-tert-butylphenol
2,6-ditert-butyl-4-methyl-phenol
2,6-DI-T-BUTYL-P-CRESOL
4-Methyl-2,6-di-tert-butylphenol
Butyl hydroxy toluene
MFCD00011644
Bht(food grade)
4-Methyl-2,6-di-terc. butylfenol
2,6-Di-tert-butyl-4-methyl-phenol
1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene
Dbpc(technical grade)
E321
P-Cresol, 2,6-di-tert-butyl-
CHEMBL146
INS NO.321
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
CAS-128-37-0
Butylohydroksytoluenu
Butylohydroksytoluenu [Polish]
Di-tert-butyl-p-cresol (VAN)
2,6-Di-terc.butyl-p-kresol [Czech]
EPA Pesticide Chemical Code 022105
UNII-1P9D0Z171K
2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3
4-Methyl-2,6-di-terc. butylfenol [Czech]
Lowinox BHT
Nipanox BHT
BHT Swanox
BHT, food grade
4-Methyl-2,6-di-t-butyl-phenol
2, food grade
3IM
Dibutyl-para-cresol
Spectrum_001790
SpecPlus_000768
Methyldi-tert-butylphenol
Spectrum3_001849
Spectrum5_001612
Hydagen DEO (Salt/Mix)
BHT [FCC]
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
MLS000069425
BIDD:ER0031
DivK1c_006864
SPECTRUM1600716
2,6-bis-tert-butyl-p-cresol
2,6-di-tert-butyl-paracresol
2,6-di-tert. butyl-p-cresol
2,6-di-tert.-butyl-p-cresol
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
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
CCG-207937
CS-W020053
FD22551
NSC-759563
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
2,6-Di-tert-butyl-4-methylphenol, >=99%
D0228
NS00010740
Phenol,6-bis(1,1-dimethylethyl)-4-methyl-
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
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
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
Pubchem:
31404
Cas:
128-37-0
Gnps:
CCMSLIB00006409096
Zinc:
ZINC000001481993
Kegg Ligand:
C14693
Chebi:
34247
Nmrshiftdb2:
10008752
Chembl:
CHEMBL146
Comptox:
DTXSID2020216
Drugbank:
DB16863
Pdb Ligand:
3IM
Bindingdb:
50079507
CPRiL:
2649
SMILES: c1ccccc1
Level: 0
Mol. Weight: 220.36 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.58
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -4.3
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -3.03
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.23
- Plasma Protein Binding
- 55.78
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Inhibitor
- CYP 1A2 Substrate
- Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 8.96
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Toxic
- Bioconcentration Factor
- 2.95
- Biodegradation
- Safe
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 0.45
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 5.26
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- 4.38
- Rat (Acute)
- 1.92
- Rat (Chronic Oral)
- 1.93
- Fathead Minnow
- 4.4
- Respiratory Disease
- Toxic
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Toxic
- SR-p53
- Safe
General Properties
- Boiling Point
- 271.37
- Hydration Free Energy
- -3.45
- Log(D) at pH=7.4
- 4.7
- Log(P)
- 4.9
- Log S
- -4.29
- Log(Vapor Pressure)
- -2.44
- Melting Point
- 68.35
- pKa Acid
- 12.46
- pKa Basic
- 6.32
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Ferrochelatase, mitochondrial | P22830 | HEMH_HUMAN | Homo sapiens | 3 | 0.7882 |
| Nuclear receptor ROR-beta | P45446 | RORB_RAT | Rattus norvegicus | 4 | 0.7855 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Q9Y233 | PDE10_HUMAN | Homo sapiens | 3 | 0.7766 |
| Soluble acetylcholine receptor | Q8WSF8 | Q8WSF8_APLCA | Aplysia californica | 3 | 0.7738 |
| Casein kinase II subunit alpha | P28523 | CSK2A_MAIZE | Zea mays | 3 | 0.7258 |
| Aldo-keto reductase family 1 member B1 | P15121 | ALDR_HUMAN | Homo sapiens | 3 | 0.7152 |