Compound: tert-Butylhydroquinone
SMILES: Oc1c(cc(O)cc1)C(C)(C)C
InChIKey: BGNXCDMCOKJUMV-UHFFFAOYSA-N
Synonyms: tert-Butylhydroquinone, 1948-33-0, TBHQ, 2-tert-Butylhydroquinone, T-BUTYLHYDROQUINONE, MTBHQ, 2-t-Butylhydroquinone, 2-tert-Butyl-1,4-benzenediol, Mono-tert-butylhydroquinone, Sustane, Mono-tertiarybutylhydroquinone, Tenox TBHQ, tert-Butyl-1,4-benzenediol, Banox 20BA, 2-(1,1-Dimethylethyl)-1,4-benzenediol, tertiary-Butylhydroquinone, Hydroquinone, tert-butyl-, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 2-tert-Butyl(1,4)hydroquinone, 2-tertiary-butylhydroquinone, tert-Butylhydrochinone, 2-t-Butyl-1,4-benzenediol, Tertiary butylhydroquinone, NSC 4972, Tenox 20, monotertiary butyl hydroquinone, DTXSID6020220, NSC4972, NSC-4972, CHEBI:78886, AI3-61039, DTXCID60220, INS NO.319, C12674942B, INS-319, E-319, RefChem:9309, 217-752-2, 2-tert-butylbenzene-1,4-diol, t-Butyl hydroquinone, 2-(tert-butyl)benzene-1,4-diol, t-BHQ, MFCD00002344, tert-butyl hydroquinone, Butylhydroquinone, tert-, Eastman MTBHQ, 1,4-Benzenediol (1,1-dimethylethyl)-, tert-butyl-hydroquinone, 2-(1,1-dimethylethyl)benzene-1,4-diol, NCGC00013051-05, E319, Hydroquinone, t-butyl-, EYK, CAS-1948-33-0, CCRIS 1447, HSDB 838, Butylhydroquinone, t-, EINECS 217-752-2, 2-tert-butyl-hydroquinone, BRN 0637923, 2-(tert-Butyl)benzene-1,4-diol(may occur to produce black solid), Sustane TBHQ, Tenox TBHO, UNII-C12674942B, Tenox TBHQTBHQ, TBHQ (Standard), t-butyl-hydroquinone, tert-Butylhydroquinon, 2-t-butyl hydroquinone, tert.-butyl hydroquinone, TBHQ [FCC], EC 217-752-2, TBHQ/tert-Butylhydroquinone, NCIStruc1_000241, NCIStruc2_000017, SCHEMBL26745, Tert-butyl hydroquinone TBHQ, tert-Butylhydroquinone, 97%, MLS002222348, BUTYLHYDROQUINONE,TERT-, CHEMBL242080, orb1301851, orb3025050, SCHEMBL5494084, SCHEMBL9812328, SCHEMBL11042250, SCHEMBL29350903, MSK2317, NCI4972, HYDROQUINONE,TERTIARY BUTYL, WLN: QR DQ BX1&1&1, KUC109743N, T-BUTYLHYDROQUINONE [HSDB], 1,4-dihydroxy-2-tert-butylbenzene, 2-tert-butyl-1,4-dihydroxybenzene, TERT-BUTYLHYDROQUINONE [II], Tox21_110006, Tox21_110007, Tox21_202309, Tox21_300081, BDBM50065387, CCG-37948, EBC-00546, NCGC00013051, s4990, STK372011, AKOS003627061, CS-5774, DB07726, FB40548, HY-100489R, Butylhydroxyanisole O-Desmethyl Impurity, NCGC00013051-01, NCGC00013051-02, NCGC00013051-03, NCGC00013051-04, NCGC00013051-06, NCGC00013051-07, NCGC00013051-08, NCGC00013051-09, NCGC00013051-10, NCGC00090788-01, NCGC00090788-02, NCGC00090788-03, NCGC00090788-04, NCGC00254178-01, NCGC00259858-01, AC-10579, BS-15862, NCI60_004196, SMR001253806, SY001798, TERTIARY BUTYLHYDROQUINONE [MART.], HYDROQUINONE,TERTIARY BUTYL [VANDF], KSC-241-078-1, tert-Butylhydroquinone, analytical standard, DB-019879, HY-100489, B0833, NS00010294, ST50824898, 2-(1,1-Dimethylethyl)-1,4-dihydroxybenzene, 2-(1,1-Dimethylethyl)-1,4-benzenediol, 9CI, D70420, EN300-120878, F209429, Q662443, BRD-K36452089-001-01-8, BRD-K36452089-001-02-6, F0001-0696, Z1255402624, Butylhydroquinone; TBHQ; 2-tert-Butylhydroquinone; 2-(1,1-Dimethylethyl)-1,4-benzenediol
Theoretical properties:
molecular_formula: C10H14O2
molecular_weight: 166.22 g/mol
exact_mass: 166.099379685 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to light tan crystalline powder or a fine beige powder
color: White to light tan crystalline powder or a fine beige powder
odor: Very slight aromatic odor
boiling_point: 563 °F at 760 mmHg (NTP, 1992)
melting_point: 261 to 264 °F (NTP, 1992)
density: 1.05 (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 340 °F (NTP, 1992)
vapor_pressure: less than 1 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: 2-tert-butylhydroquinone is a member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. It has a role as a food antioxidant.
chebi: A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a <em>tert</em>-butyl group.
chembl: E319 is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: tert-Butylhydroquinone (TBHQ, tertiary butylhydroquinone, tBHQ) is a synthetic aromatic organic compound which is a type of phenol. It is a derivative of hydroquinone, substituted with a tert-butyl group.