UCSF

ZINC01481993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 16 Yes

Popular Name: 2,6-Di-tert-butyl-4-methylphenol 2,6-Di-tert-butyl-4-methylphenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 128-37-0 , 56252-55-2 , [128-37-0]

Other Names:

"2,6-Di-tert-butyl-4-methylphenol, 98.5%"

"2,6-Di-tert-butyl-4-methylphenol, 99.8%"

1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene; 2,6-Bis(1,1-dimethylethyl)-4-methylphenol; 2,6-Di-t-butyl-4-methylphenol; 2,6-Di-t-butyl-p-cresol; 2,6-Di-terc.butyl-p-kresol [Czech]; 2,6-Di-tert-Butyl-1-Hydroxy-4-Methylbenzene; 2,6-Di-tert-Butyl-4-Methylphen

128-37-0; 2,6-Bis(1,1-dimethylethyl)-4-methylphenol; 2,6-Di-t-butyl-4-methylphenol; 2,6-Di-tert-butyl-p-cresol; BHT; Butylated hydroxytoluene; Butylhydroxytoluene; C14693

128-37-0; Butylated hydroxytoluene (NF); D02413

2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI;2,6-Di-t-butyl-4-methylphenol;2,6-Di-tert-butyl-p-cresol, 8CI;BHT;Butyl hydroxy toluene;Butylated hydroxytoluene;Butylhydroxytoluene;E321;FEMA 2184;Ionol;Popol

2,6-Bis(1,1-dimethylethyl)-4-methylphenol; 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; BHT; Butylated hydroxytoluene; Butylhydroxytoluene

2,6-Bis(tert-butyl)-4-methylphenol

2,6-di-t-butyl-4-methylphenol

2,6-Di-tert-butyl-4-methylphenol, 99%

2,6-Di-tert-butyl-4-methylphenol, 99.8%

2,6-DI-tert-Butyl-p-cresol

2,6-ditert-Butyl-4-methylphenol

2.6-di-tert-butyl-4-methylenol

BHT

BHT ( Butylated Hydroxy Toluen)

BRD-K53153417-001-01-3

Butylated hydroxytoluene

Butylated Hydroxytoluene (BAN

BUTYLATEDHYDROXYTOLUENE

DNC009127

METHYLALUMINUM BIS(2,6-DI-TERT-BUTYL-4-METHYLPHENOXIDE)

Methylaluminum Bis(2,6-di-tert-butyl-4-methylphenoxide) (0.4mol/L in Toluene)

METHYLALUMINUMBIS(2,6-DI-TERT-BUTYL-4-METHYLPHENOXIDE)

MFCD00011644

MFCD00079652

NF)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.43 7.87 -2.46 1 1 0 20 220.356 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 264-265? Alfa-Aesar
Boiling_Point 264-265° Alfa-Aesar
BP [°C] 265 Acros Organics
BP 265° Oakwood Chemical
MP 69 - 70 Enamine Building Blocks
Mp [°C] 69 - 71 Acros Organics
Melting_Point 69-72? Alfa-Aesar
Melting_Point 69-72° Alfa-Aesar
MP 69-73° Oakwood Chemical
MP 69...70 Enamine Building Blocks
MP 71 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
Therapy antioxidant SMDC Pharmakon
Target Caspase-3(P42574)&Egl nine homolog 1(Q9GZT9)&Hypoxia-inducible factor 1-alpha(Q16665)&Cytochrome c(P99999) Herbal Ingredients Targets
Patent Database Links EP0812824; EP1298126; EP1310492; EP1522219; EP1570839; EP1752131; EP1787637; EP1798216; EP1803468; EP1806123; EP1961418; GB2208598; US2003108492; US2003149097; US2003157035; US2003194514; US2004161434; US2005043543; US2005054748; US2005148558; US200726520 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
Hazard N: Dangerous for the environment Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P273: Avoid release to the environment; P391: Collect spillage; P501: Dispose of contents/container to an approved waste disposal plant Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-5-E Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic Eukaryotes 630 0.54 Binding ≤ 10μM
Z100766-1-O Radical Scavenging Activity (cluster #1 Of 2), Other Other 3250 0.48 Functional ≤ 10μM
Z102317-1-O Brain (cluster #1 Of 2), Other Other 6200 0.46 Functional ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 900 0.53 Functional ≤ 10μM
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 3180 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 630 0.54 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 630 0.54 Binding ≤ 10μM
Z102317 Z102317 Brain 4030 0.47 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 3180 0.48 Functional ≤ 10μM
Z100766 Z100766 Radical Scavenging Activity 1700 0.50 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1700 0.50 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

Analogs ( Draw Identity 99% 90% 80% 70% )