Compound: Propyl acetate
SMILES: O=C(OCCC)C
InChIKey: YKYONYBAUNKHLG-UHFFFAOYSA-N
Synonyms: Propyl acetate, 109-60-4, N-PROPYL ACETATE, Acetic acid, propyl ester, Propyl ethanoate, 1-Acetoxypropane, 1-Propyl acetate, Octan propylu, Acetic acid n-propyl ester, Propylacetate, Acetate de propyle normal, FEMA No. 2925, Propylester kyseliny octove, 4AWM8C91G6, DTXSID6021901, NSC-72025, DTXCID301901, CHEBI:40116, n-Propyl ester of acetic acid, RefChem:6172, 203-686-1, n-Propyl ethanoate, Acetic acid propyl ester, n-Propyl acetate (natural), NSC 72025, MFCD00009372, Acetic acid, n-propyl ester, ACETIC ACID,PROPYL ESTER, Octan propylu [Polish], HSDB 161, Acetate de propyle normal [French], Propylester kyseliny octove [Czech], EINECS 203-686-1, UN1276, BRN 1740764, UNII-4AWM8C91G6, AI3-24156, n-propanol acetate, Propyl acetate, 99%, CH3COOCH2CH2CH3, Acetic acid-n-propyl ester, EC 203-686-1, N-Propyl Acetate (NPAC), Propyl ester of acetic acid, PROPYL ACETATE [MI], SCHEMBL14991, SCHEMBL50548, PROPYL ACETATE [FCC], 4-02-00-00138 (Beilstein Handbook Reference), WLN: 3OV1, CHEMBL44857, PROPYL ACETATE [FHFI], Propyl acetate, >=99.5%, SCHEMBL127555, SCHEMBL127684, SCHEMBL1214540, SCHEMBL2412651, SCHEMBL8120846, Propyl acetate, >=98%, FG, N-PROPYL ACETATE [HSDB], N-Propyl acetate LBG-64752, PROPYL ACETATE [USP-RS], SCHEMBL17866534, Propyl acetate, analytical standard, NSC72025, Tox21_202012, SBB060305, STL280317, AKOS008949448, DB01670, MSK000096-100R, UN 1276, MSK000096-1000R, NCGC00249148-01, NCGC00259561-01, CAS-109-60-4, LS-13075, DB-040874, A0044, NS00003289, Propyl acetate, natural, >=97%, FCC, FG, ST51046519, n-Propyl acetate [UN1276]  [Flammable liquid], Q415750, Propyl acetate Solution in 1,2-Dichloroethane, 1000ug/mL, Propyl acetate Solution in 1,2-Dichloroethane, 100ug/mL, InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H, Propyl acetate, United States Pharmacopeia (USP) Reference Standard, Propyl Acetate, Pharmaceutical Secondary Standard; Certified Reference Material, n-propyl acetate, 1-propyl acetate, propyl acetate, npac, npa, np, normal propyl acetate, propyl ethanoate, n-propyl ethanoate, propyl ester, acetic acid, n-propyl ester, 1-acetoxypropane.
Theoretical properties:
molecular_formula: C5H10O2
molecular_weight: 102.13 g/mol
exact_mass: 102.068079557 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 7
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Pleasant odor
boiling_point: 214.9 °F at 760 mmHg (USCG, 1999)
melting_point: -139 °F (USCG, 1999)
density: 0.886 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 2 % (NIOSH, 2024)
flash_point: 58 °F (USCG, 1999)
vapor_pressure: 67.21 mmHg (USCG, 1999)
Descriptions:
pubchem: Propyl acetate is an acetate ester obtained by the formal condensation of acetic acid with propanol. It has a role as a fragrance and a plant metabolite. It is functionally related to a propan-1-ol.
chebi: An  acetate ester obtained by the formal condensation of acetic acid with propanol.
chembl: ACETIC ACID PROPYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Propyl acetate, also known as propyl ethanoate, is an organic compound. Nearly 20,000 tons are produced annually for use as a solvent. This colorless liquid is known by its characteristic odor of pears and some apples. Due to this fact, it is commonly used in fragrances and as a flavor additive. It is formed by the esterification of acetic acid and propan-1-ol, often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct.