Compound: Di-2-ethylhexyl sebacate
SMILES: O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC
InChIKey: VJHINFRRDQUWOJ-UHFFFAOYSA-N
Synonyms: Di-2-ethylhexyl sebacate, Di(2-ethylhexyl)sebacate, RefChem:919976, bis(2-ethylhexyl sebacate), bis(2-ethylhexyl)sebacateent, DEHS, BIS(2-ETHYLHEXYL) SEBACATE, Bis(2-ethylhexyl) decanedioate, Bis(2-ethylhexyl)sebacate, Bisoflex, Di(2-ethylhexyl) sebacate, Octoil S, Plexol, Decanedioic acid, bis(2-ethylhexyl) ester, Bisoflex DOS, Edenol 888, Monoplex DOS, Reolube DOS, Staflex DOS, diethylhexyl sebacate, Sebacic acid, bis(2-ethylhexyl) ester, Uniflex dos, 2-Ethylhexyl sebacate, Plexol 201J, Sansocizer DOS, Ergoplast SDO, Reomol DDS, Edenor DEHS, PX 438, Sebacic acid bis(2-ethylhexyl) ester, Bis(ethylhexyl) sebacate, 1-Hexanol, 2-ethyl-, sebacate, DOS, BEHS, 1,10-bis(2-ethylhexyl) decanedioate, U9LS47Q72Q, 29590-28-1, DTXSID7025055, Decanedioic acid, 1,10-bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) sebacate (DOS), C26H50O4, MFCD00009497, NSC-68878, USAF KE-2, Di-2-ethylhexyl isosebacate, CCRIS 6191, HSDB 2898, EINECS 204-558-8, Sebacic acid, di-2-ethylhexyl diester, Isosebacic acid, di-2-ethylhexyl ester, BRN 1806504, UNII-U9LS47Q72Q, Bis(2-ethylhexyl)decanedioate, AI3-09124, Dioctyl' sebacate, 'Dioctyl' sebacate, Sebacic acid, bis(2-ethylhexyl)ester, 1-Hexanol, sebacate, HALLSTAR DOS, decanedioic acid bis(2-ethylhexyl) ester, Dioctyl sebacate 99%, DUB DOS, bis(2_ethylhexyl)sebacate, EC 204-558-8, SCHEMBL37169, 4-02-00-02083 (Beilstein Handbook Reference), HATCOL 5110, DTXCID005055, orb1987278, AEC DIETHYLHEXYL SEBACATE, CHEMBL3187356, NSC68878, Tox21_303439, (+/-)-DIETHYLHEXYL SEBACATE, MSK002109, AKOS015903925, AT25397, FB34371, DIETHYLHEXYL SEBACATE, (+/-)-, BIS(2-ETHYLHEXYL) SEBACATE [MI], decanedioic acid bis(2_ethylhexyl) ester, NCGC00257416-01, CAS-122-62-3, LS-15168, BIS(2-ETHYLHEXYL) SEBACATE [HSDB], DB-041675, MSK002109-1000, CS-0152375, NS00013580, S0025, WLN: 4Y2 & 1OV8VO1Y4 & 2, SEBACIC ACID BIS (2_ETHYLHEXYL) ESTER, Bis(2-ethylhexyl) sebacate, >=97.0% (GC), Bis(2-ethylhexyl) sebacate, technical grade, 90%, Decanedioic acid, 1,10-bis (2-ethylhexyl) ester, F845860, Q4387284, Bis(2-ethylhexyl) sebacate, Selectophore(TM), >=97.0%, Bis(2-ethylhexyl)sebacate Solution in Hexane, 1000?g/mL, 204-558-8
Theoretical properties:
molecular_formula: C26H50O4
molecular_weight: 426.7 g/mol
exact_mass: 426.37091007 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 23
heavy_atom_count: 30
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dioctyl sebacate (also di(2-ethylhexyl) sebacate, commonly abbreviated as DOS, DEHS, and BEHS) is an organic compound which is the diester of sebacic acid and 2-ethylhexanol.
It is an oily colorless liquid and is used as a plasticizer, including in the explosive C-4. It has also found use in Dot 5 brake fluid, in ester-based engine oils and additives, as seed particle for particle image velocimetry (PIV) and as a model compound that forms stable aerosols.