Compound: 2,6-DI-TERT-BUTYLPHENOL
SMILES: Oc1c(cccc1C(C)(C)C)C(C)(C)C
InChIKey: DKCPKDPYUFEZCP-UHFFFAOYSA-N
Synonyms: 2,6-DI-TERT-BUTYLPHENOL, 128-39-2, 2,6-Di-t-butylphenol, 2,6-Bis(tert-butyl)phenol, Phenol, 2,6-bis(1,1-dimethylethyl)-, 2,6-Bis(1,1-dimethylethyl)phenol, Ethanox 701, Isonox 103, Ethyl 701, Ethyl AN 701, Hitec 4701, Phenol, 2,6-di-tert-butyl-, 2,6-Di-tert-butyl-phenol, AN 701, DTXSID6027052, NSC-49175, 21294V58PF, DTXCID007052, CHEBI:131421, RefChem:445274, 204-884-0, 2,6-ditert-butylphenol, 2,6 Di-tert-butylphenol, 2,6-Bis(t-butyl)phenol, MFCD00008820, NSC 49175, 2,6-(1,1-Dimethylethyl)phenol, CHEMBL281071, CAS-128-39-2, CCRIS 5828, HSDB 5616, EINECS 204-884-0, 2,6-di-tert-butyl phenol, 2,6-di-tert.-butylphenol, AI3-26293, UNII-21294V58PF, 2,6-ditertbutylphenol, 2,6-di-t butylphenol, 2,6 ditert-butylphenol, 2,6-di-tertbutylphenol, 2,6-ditert.butylphenol, 2,6Di-tert-butylphenol, 2,6-di(t-butyl)phenol, 2,6-di-t-butyl phenol, 2,1-dimethylethyl)phenol, 2,6-Di- t-butylphenol, 2,6-ditert.-butylphenol, 2,6-di- tert-butylphenol, 2,6-di-tert.butyl-phenol, EC 204-884-0, 2,6-di-tert-butyl- phenol, 2,6-di-tert.-butyl phenol, 2,6-di-tert.-butyl-phenol, 2,6-di-tertiary butylphenol, SCHEMBL38598, SCHEMBL99193, Phenol, 2,6-bis(t-butyl), BIDD:ER0032, SCHEMBL438553, 2,6 -di-tert.-butyl phenol, 2,6-di-tertiary-butyl phenol, 2,6-Di-tert-butyl-4-phenol, 2,6-DTBP, orb3029563, orb3139155, SCHEMBL9158392, 2,6-Di-tert-butylhydroxybenzene, PDK0053, 2,6-Di-tert-butylphenol, 99%, NSC49175, 2,6-di-(1,1-dimethylethyl)phenol, DI-TERT-BUTYLPHENOL, 2,6-, Tox21_200442, Tox21_300091, 2,6-bis (1,1-dimethylethyl)phenol, BDBM50240431, EBC-03664, SBB060428, STL280177, 2,6-di-(1,1-dimethylethyl)-phenol, AKOS009031587, 2,6-DI-TERT-BUTYLPHENOL [HSDB], NCGC00164272-01, NCGC00164272-02, NCGC00164272-03, NCGC00254067-01, NCGC00257996-01, AC-14913, PD180190, SK8265000, 1,3-DITERT.BUTYL,2-HYDROXY-BENZENE, D0941, NS00010301, ST50214492, EN300-19647, F87064, Q2218184, Z104474592, InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H
Theoretical properties:
molecular_formula: C14H22O
molecular_weight: 206.32 g/mol
exact_mass: 206.167065321 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 15
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Light straw, crystalline solid
color: Light straw, crystalline solid
boiling_point: 487 °F at 760 mmHg (USCG, 1999)
melting_point: 97 °F (USCG, 1999)
density: 0.914 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 2.5 mg/l @ 25 °C
flash_point: greater than 200 °F (USCG, 1999)
vapor_pressure: 0.0073 [mmHg]
Descriptions:
pubchem: 2,6-di-tert-butylphenol is a member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. It has a role as an antioxidant. It is a member of phenols and an alkylbenzene.
chebi: A member of the class of phenols carrying two <em>tert</em>-butyl substituents at positions 2 and 6.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2,6-Di-tert-butylphenol is an organic compound with the structural formula 2,6-((CH3)3C)2C6H3OH.  This colorless solid alkylated phenol and its derivatives are used industrially as UV stabilizers and antioxidants for hydrocarbon-based products ranging from petrochemicals to plastics.  Illustrative of its usefulness, it prevents gumming in aviation fuels.