Compound: TERT-BUTYL HYDROPEROXIDE
SMILES: O(O)C(C)(C)C
InChIKey: CIHOLLKRGTVIJN-UHFFFAOYSA-N
Synonyms: TERT-BUTYL HYDROPEROXIDE, 75-91-2, TBHP, T-Butyl hydroperoxide, tert-Butylhydroperoxide, Perbutyl H, 2-Hydroperoxy-2-methylpropane, t-Butylhydroperoxide, Cadox TBH, 1,1-Dimethylethyl hydroperoxide, Hydroperoxide, 1,1-dimethylethyl, Terc. butylhydroperoxid, Hydroperoxyde de butyle tertiaire, Hydroperoxide, tert-butyl, Tertiary butyl hydroperoxide, Trigonox a-75, 1,1-Dimethylethylhydroperoxide, Perbutyl H 69T, Luperox TBH 70X, terc.Butylhydroperoxid, Trigonox A-W 70, tert Butylhydroperoxide, DE 488, NSC-672, 955VYL842B, KAYABUTYL H 70, DTXSID9024693, CHEBI:64090, t Butylhydroperoxide, t Butyl Hydroperoxide, Hydroperoxide, t-Butyl, tert Butyl Hydroperoxide, tertiary Butylhydroperoxide, RefChem:6291, DTXCID504693, 200-915-7, tertiary-Butylhydroperoxide, tert-Butyl hydrogen peroxide, Slimicide DE-488, TBHP-70, Trigonox A-W70, tert-Butyl-hydroperoxide, 2-methylpropane-2-peroxol, NSC 672, t-BuOOH, Tertiary-butyl hydroperoxide, Dimethylethyl hydroperoxide, T-Hydro, MFCD00002130, tert-Butyl Hydroperoxide (70% in Water), Caswell No. 130BB, Trigonox A-75 [Czech], tBOOH, terc.Butylhydroperoxid [Czech], CCRIS 5892, HSDB 837, terc. Butylhydroperoxid [Czech], tert-Butyl Hydroperoxide (5-6 M in Decane), EINECS 200-915-7, DE-488, BRN 1098280, Hydroperoxyde de butyle tertiaire [French], UNII-955VYL842B, AI3-50541, 2-hydroperoxy-2-methyl-propane, Kayabutyl H, tBuOOH, tert-BuOOH, Hydroperoxide, 1,1-dimethylethyl-, Perbutyl H 69, Perbutyl H 80, t-butyl-hydroperoxide, terbutyl hydroperoxide, tert-butyhydroperoxide, tert-C4H9OOH, t-butyl hydrogenperoxide, t-butyl-hydrogenperoxide, tert.-butylhydroperoxide, tert.butyl hydroperoxide, tertiarybutylhydroperoxide, tertbutylhydrogen peroxide, t-butyl hydrogen peroxide, tert.-butyl hydroperoxide, DSSTox_CID_4693, tert-butylhydrogen peroxide, EC 200-915-7, 75-91-2(water), DSSTox_RID_78866, DSSTox_GSID_31209, SCHEMBL20212, tertiary butyl hydro peroxide, Hydroperoxide,1-dimethylethyl, Trigonox A-80 (Salt/Mix), UN 2093 (Salt/Mix), UN 2094 (Salt/Mix), SCHEMBL180050, USP -800 (Salt/Mix), CHEMBL348399, NSC672, SCHEMBL31240931, tert-Butyl hydroperoxide (8CI), tert-Butyl hydroperoxide, >90% with water [Forbidden], WLN: QOX1&1&1, 2-Methyl-prop-2-yl-hydroperoxide, Tox21_200838, Aztec t-butyl Hydroperoxide-70, Aq, TERT-BUTYL HYDROPEROXIDE [II], TERT-BUTYL HYDROPEROXIDE [MI], AKOS000121070, TERT-BUTYL HYDROPEROXIDE [HSDB], tert-Butyl hydroperoxide, 70% in water, NCGC00090725-01, NCGC00090725-02, NCGC00090725-03, NCGC00258392-01, tert-Butyl hydroperoxide aqueous solution, Hydroperoxide, 1,1-dimethylethyl (9CI), tert-Butyl hydroperoxide, >90% with water, B3153, NS00004543, Q286326, tert-Butyl hydroperoxide solution 70 wt. % in H2O, F1905-8242
Theoretical properties:
molecular_formula: C4H10O2
molecular_weight: 90.12 g/mol
exact_mass: 90.068079557 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
boiling_point: 192 °F at 760 mmHg (decomposes); 104 °F at 23 mmHg (NTP, 1992)
melting_point: 18 °F (NTP, 1992)
density: 0.88 at 77 °F (USCG, 1999) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
flash_point: 80 °F (NTP, 1992)
vapor_pressure: 5.46 [mmHg]
Descriptions:
pubchem: Tert-butyl hydroperoxide is an alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. It has a role as an antibacterial agent and an oxidising agent.
chebi: An alkyl hydroperoxide in which the alkyl group is <em>tert</em>-butyl. It is widely used in a variety of oxidation processes.
chembl: TERT-BUTYL HYDROPEROXIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: tert-Butyl hydroperoxide (tBuOOH) is the organic compound with the formula (CH3)3COOH. It is one of the most widely used hydroperoxides in a variety of oxidation processes, like the Halcon process.  It is normally supplied as a 69–70% aqueous solution.  Compared to hydrogen peroxide and organic peracids, tert-butyl hydroperoxide is less reactive and more soluble in organic solvents. Overall, it is renowned for the convenient handling properties of its solutions. Its solutions in organic solvents are highly stable.