Compound: PROPYL PROPIONATE
SMILES: O=C(OCCC)CC
InChIKey: MCSINKKTEDDPNK-UHFFFAOYSA-N
Synonyms: PROPYL PROPIONATE, Propyl propanoate, n-Propyl propionate, Propanoic acid, propyl ester, n-Propyl propanoate, Propionic acid, propyl ester, n-Propyl n-propionate, Propylester kyseliny propionove, FEMA No. 2958, Propyl propionate (natural), Propionic acid n-propyl ester, NSC 72022, Propyl ester of propanoic acid, Propyl-propanoate, UNII-G09TRV00GK, EINECS 203-389-7, G09TRV00GK, Propylester kyseliny propionove [Czech], BRN 1699993, DTXSID4042337, n-Propyl n-propanoate, AI3-24357, NSC-72022, PROPYL PROPANOATE [MI], PROPYL PROPIONATE [FCC], DTXCID2022337, PROPYL PROPIONATE [FHFI], CHEBI:89828, FEMA 2958, WE(3:0/3:0), 4-02-00-00707 (Beilstein Handbook Reference), propyl propionic acid, Propyl propanoic acid, N-Propyl propanoic acid, N-Propyl propionic acid, Propanoate, propyl ester, Propionate, propyl ester, RefChem:176517, Propionate N-propyl ester, N-Propyl N-propionic acid, Propyl ester OF propanoate, 203-389-7, MCSINKKTEDDPNK-UHFFFAOYSA-N, 106-36-5, Propionic Acid Propyl Ester, MFCD00009373, Propionic acid-propyl ester, Propyl propionate, 99%, SCHEMBL50266, SCHEMBL51062, SCHEMBL62961, WLN: 3OV2, SCHEMBL126841, SCHEMBL131883, orb3021435, SCHEMBL3923421, SCHEMBL8979257, CHEMBL3185284, SCHEMBL17866536, NSC72022, Tox21_301107, LMFA07010412, AKOS008947790, Propyl propionate, >=98%, FCC, FG, NCGC00248289-01, NCGC00255007-01, CAS-106-36-5, LS-13177, DB-040686, NS00013167, P0511, F87292, Q3119221, Propyl propionate, natural (US), >=98%, FCC, FG
Theoretical properties:
molecular_formula: C6H12O2
molecular_weight: 116.16 g/mol
exact_mass: 116.083729621 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 4
heavy_atom_count: 8
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 122.00 to 124.00 °C. @ 760.00 mm Hg
melting_point: -75.9 °C
density: 0.873-0.879
solubility: 5.3 mg/mL at 25 °C
Descriptions:
pubchem: Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a biomarker, a fungal metabolite, a human metabolite and a rat metabolite. It is functionally related to a propan-1-ol.
chebi: A propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Propyl propanoate (also known as propyl propionate and n-propyl propionate) is the organic compound with the molecular formula C6H12O2.  It is the ester of propanol and propionic acid. Like most esters, propyl propanoate is a colorless liquid with a fruity odor.  The scent of propyl propionate is described as a chemically tinged pineapple or pear. It is used in perfumery and as a solvent. The refractive index at 20 °C is  1.393.
Because propyl propanoate is a low-odor, moderately volatile ester solvent that is not a hazardous air pollutant (HAP), with good solvent activity and versatility, it is considered a safer substitute for toluene.