Compound: Diisopropyl ether
SMILES: O(C(C)C)C(C)C
InChIKey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
Synonyms: Diisopropyl ether, ISOPROPYL ETHER, 108-20-3, 2-Isopropoxypropane, Propane, 2,2'-oxybis-, Diisopropyl oxide, Ether, isopropyl, Bis(isopropyl) ether, Izopropylowy eter, Ether isopropylique, 2,2'-Oxybispropane, DTXSID4021890, DO7Y998826, DTXCID401890, 2-Isopropoxy propane, RefChem:134066, 203-560-6, diisopropylether, 2,2'-oxydipropane, 2-propan-2-yloxypropane, di-iso-propylether, Di-isopropyl ether, DIPE, 2-propyl ether, MFCD00008880, DIISOPROPYL-ETHER, Isopropylether, 2,2'-Oxybis-propane, Isopropyl ether (stabilized with BHT), Izopropylowy eter [Polish], Ether isopropylique [French], HSDB 624, EINECS 203-560-6, UN1159, 2-(propan-2-yloxy)propane, diisoproylether, diisopropyloxide, isopropy ether, AI3-24270, i-propyl ether, di-isopropylether, diisoproply ether, Diiospropyl ether, iso-propyl ether, UNII-DO7Y998826, di-isopropyl-ether, Diisopropyl ether, contains either BHT or hydroquinone as stabilizer, ACS reagent, >=99.0%, Di Isopropyl Ether, di-iso-propyl ether, di-iso-propyl-ether, iPr2O, Di(2-propyl) ether, i-Pr2O, bis(1-methylethyl)ether, (i-Pr)2O, (iso-C3H7)2O, EC 203-560-6, SCHEMBL1296, 1,1'-Dimethyldiethyl ether, SCHEMBL18967, ISOPROPYL ETHER [MI], SCHEMBL441930, SCHEMBL703454, SCHEMBL899909, Diisopropyl ether, LR, 98%, ISOPROPYL ETHER [HSDB], 2-[(Propan-2-yl)oxy]propane, SCHEMBL7240952, CHEMBL3185565, Isopropyl Alcohol EP Impurity C, Diisopropyl ether, LR, >=98%, Tox21_202551, MSK000109, STL280503, Diisopropyl ether, analytical standard, AKOS009031514, UN 1159, NCGC00166211-01, NCGC00260100-01, CAS-108-20-3, Diisopropyl ether, Stabilized, ACS Grade, I0172, I0917, NS00003939, Diisopropyl ether, SAJ first grade, >=99.0%, Diisopropyl ether, JIS special grade, >=99.0%, Diisopropyl ether [UN1159]  [Flammable liquid], Q418989, Diisopropyl ether, puriss. p.a., >=98.5% (GC), F0001-0159, InChI=1/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H, Diisopropyl ether, p.a., 99.0%, contains 0.0004-0.0007% BHT, Diisopropyl etheranhydrous, contains BHT (50-100 ppm) as stabilizer, Diisopropyl ether, anhydrous, 99%, contains either BHT or hydroquinone as stabilizer, Diisopropyl ether, ReagentPlus(R), 99%, contains either BHT or hydroquinone as stabilizer, Diisopropyl ether, UV HPLC spectroscopic, 99.8%, contains 0.0004-0.0007% BHT
Theoretical properties:
molecular_formula: C6H14O
molecular_weight: 102.17 g/mol
exact_mass: 102.104465066 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 9.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless volatile liquid
color: Colorless volatile liquid
odor: Sweet, slightly sharp, pungent like camphor and ethyl ether
boiling_point: 156 °F at 760 mmHg (USCG, 1999)
melting_point: -123 °F (USCG, 1999)
density: 0.724 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 0.2 % (NIOSH, 2024)
flash_point: -18 °F (USCG, 1999)
vapor_pressure: 119 mmHg (NIOSH, 2024)
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diisopropyl ether is a secondary ether that is used as a solvent. It is a colorless liquid that is slightly soluble in water, but miscible with organic solvents. It is also used as an oxygenate gasoline additive.  It is obtained industrially as a byproduct in the production of isopropanol by hydration of propylene. Diisopropyl ether is sometimes represented by the abbreviation DIPE.