Compound: triacetin
SMILES: O=C(OC(COC(=O)C)COC(=O)C)C
InChIKey: URAYPUMNDPQOKB-UHFFFAOYSA-N
Synonyms: triacetin, 102-76-1, Glyceryl triacetate, Glycerol triacetate, Enzactin, Triacetine, Glycerin triacetate, Triacetylglycerol, Fungacetin, Glyped, Vanay, Kesscoflex TRA, Kodaflex triacetin, Triacetyl glycerine, Triacetina, 1,2,3-Propanetriol, triacetate, 1,2,3-triacetoxypropane, Triacetinum, 1,2,3-Propanetriol triacetate, Ujostabil, Triacetyl glycerol, Estol 1581, FEMA No. 2007, 1,2,3-Propanetriyl triacetate, Glyceryltriacetate, 2,3-diacetyloxypropyl acetate, DTXSID3026691, Ins no.1518, Acetic, 1,2,3-propanetriyl ester, NSC-4796, Ins-1518, 1,2,3-triacetyl-sn-glycerol, XHX3C3X673, E1518, E-1518, CHEBI:9661, DTXCID906691, Triacetyl-glycerol, 203-051-9, EASTMAN Triacetin, RefChem:6319, GlyTouCan:G52284HH, G52284HH, 686-191-7, propane-1,2,3-triyl triacetate, 1,2,3-Propanetriol, 1,2,3-triacetate, Acetin, tri-, Triacetin [INN], Triacetyl glycerin, 1,2,3-Triacetylglycerol, NSC 4796, Triacetin (USP/INN), ENZACTIN (TN), MFCD00008716, 1,2,3-triacetyl-glycerol, 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate, NCGC00091612-04, FEMA Number 2007, Triacetine [INN-French], Triacetinum [INN-Latin], Triacetina [INN-Spanish], CAS-102-76-1, HSDB 585, 2-acetyloxy-1-(acetyloxymethyl)ethyl acetate, EINECS 203-051-9, TRIACETIN (GLYCEROL TRIACETATE), BRN 1792353, Triacetin [USP:INN:BAN], UNII-XHX3C3X673, Enzacetin, Euzactin, Fungacet, Motisil, Blekin, tri-acetin, AI3-00661, CCRIS 9355, Triacetin, CP, Triacetin, FCC, Triacetin, USP, Glyceroli Triacetas, 3-Triacetoxypropane, Glycerine triacetate, Triacetin, 99%, Triacetin (Standard), 1,3-bis(acetyloxy)propan-2-yl acetate, Spectrum_000881, TRIACETIN [FCC], TRIACETIN [II], TRIACETIN [MI], TRIACETIN [FHFI], TRIACETIN [HSDB], Spectrum2_000939, Spectrum3_001368, Spectrum4_000362, Spectrum5_001376, TRIACETIN [VANDF], TRIACETIN [MART.], EC 203-051-9, Triacetin, >=99.5%, SCHEMBL3870, TRIACETIN [USP-RS], TRIACETIN [WHO-DD], 2,3-diacetoxypropyl acetate, BSPBio_002896, Glycerol triacetate tributyrin, KBioGR_000823, KBioSS_001361, 4-02-00-00253 (Beilstein Handbook Reference), MLS002152946, 1,3-Propanetriol, triacetate, DivK1c_000740, Glyceryl triacetate, >=99%, SCHEMBL755814, SPECTRUM1500585, Triacetin, analytical standard, SPBio_000878, orb1310341, orb3140208, Triacetin, 99%, FCC, FG, 1,2,3-propanediol triethanoate, CHEMBL1489254, TRIACETIN [EP MONOGRAPH], FEMA 2007, HMS502E22, HY-B0896R, KBio1_000740, KBio2_001361, KBio2_003929, KBio2_006497, KBio3_002116, MSK2032, NSC4796, TRIACETIN [USP MONOGRAPH], NINDS_000740, HMS1921G05, HMS2092O09, HMS2232I22, HMS5083J15, Pharmakon1600-01500585, Triacetin, >=99%, natural, FG, HY-B0896, Tox21_111155, Tox21_201745, Tox21_300111, WLN: 1VO1YOV1 & 1OV1, CCG-39680, EBC-47025, LMGL03012615, NSC757364, s4581, SBB060703, Triacetin, 8CI, BAN, INN, USAN, 1,2,3-Propanetriol triacetate, 9CI, AKOS009028851, Tox21_111155_1, FG40791, Glyceryl triacetate, >=99.0% (GC), NSC-757364, IDI1_000740, NCGC00091612-01, NCGC00091612-02, NCGC00091612-03, NCGC00091612-05, NCGC00091612-06, NCGC00091612-07, NCGC00091612-09, NCGC00254207-01, NCGC00259294-01, DA-78597, LS-13668, MSK2032-1000, SMR001224538, SY010910, SBI-0051540.P002, Triacetin (1,2,3-Propanetriol triacetate), G0086, NS00010706, ST51046833, T0730, EN300-19216, D00384, E 1518, E75962, Q83253, AB00052112_06, F005165, SR-05000002079, Glyceryl triacetate Solution in Acetone, 1000?g/mL, SR-05000002079-1, 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate #, BRD-K92844263-001-09-8, Z104473192, Triacetin, United States Pharmacopeia (USP) Reference Standard, Triacetin, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H
Theoretical properties:
molecular_formula: C9H14O6
molecular_weight: 218.20 g/mol
exact_mass: 218.07903816 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 8
heavy_atom_count: 15
topological_polar_surface_area: 78.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Slightly fatty odor
boiling_point: 258-259 °C
melting_point: -78 °C
density: 1.1583 g/cu cm at 20 °C
solubility: In water, 52,130 mg/L at 24.5 °C
flash_point: 280 °F (138 °C) (closed cup)
vapor_pressure: 0.00248 [mmHg]
Descriptions:
pubchem: Triacetin is a triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. It has a role as a solvent, an adjuvant, a fuel additive, a food emulsifier, a plant metabolite, a food humectant, a food additive carrier and an antifungal drug. It is functionally related to an acetic acid.
chebi: A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections.
chembl: TRIACETIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Triacetin is the organic compound with the formula C3H5(OCOCH3)3. It is classified as a triglyceride, i.e., the triester of glycerol with acetic acid. It is a colorless, viscous, and odorless liquid with a high boiling point and a low melting point. It has a mild, sweet taste in concentrations lower than 500 ppm, but may appear bitter at higher concentrations. It is one of the glycerine acetate compounds.