Compound: Butyl acetate
SMILES: O=C(OCCCC)C
InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
Synonyms: Butyl acetate, 123-86-4, N-BUTYL ACETATE, Acetic acid, butyl ester, Butyl ethanoate, 1-Butyl acetate, Acetic Acid Butyl Ester, n-Butyl ethanoate, Butylacetat, Acetate de butyle, Acetic acid n-butyl ester, Butylacetaten, 1-acetoxybutane, Octan n-butylu, Butyle (acetate de), Butylester kyseliny octove, Butile (acetati di), DTXSID3021982, NSC-9298, Acetic acid, n-butyl ester, DTXCID101982, 464P5N1905, FEMA NO. 2174, CHEBI:31328, RefChem:122222, 204-658-1, n-Butylacetate, Butyl ester of acetic acid, NSC 9298, MFCD00009445, Butile(acetati di), 1-Butanol, acetate, CH3COO(CH2)3CH3, n-Butyl acetate, HPLC Grade, 1-Butylacetate, Butyl acetate, n-, Butylacetat [German], Butylacetaten [Dutch], Octan n-butylu [Polish], n-Butyl acetate (natural), Acetate de butyle [French], Butyle (acetate de) [French], CCRIS 2287, HSDB 152, Butile (acetati di) [Italian], Butylester kyseliny octove [Czech], EINECS 204-658-1, BRN 1741921, ACETIC ACID,BUTYL ESTER, AI3-00406, nBuOAc, AcOBu, BuOAc, UNII-464P5N1905, n-BuOAc, Butyle(acetate de), Essigsaeurebutylester, normal-butyl acetate, Essigsaeure-n-butylester, Butyl ester, acetic acid, EC 204-658-1, N-Butyl Acetate (BUTAC), BUTYL ACETATE [FCC], SCHEMBL14969, SCHEMBL50459, SCHEMBL50987, BUTYL ACETATE [FHFI], 4-02-00-00143 (Beilstein Handbook Reference), WLN: 4OV1, N-BUTYL ACETATE [MI], n-Butyl acetate, ACS reagent, SCHEMBL127775, BUTYL ACETATE [MART.], BUTYL ESTER ACETIC ACID, Butyl acetate, AR, 99.5%, Butyl acetate, LR, >=98%, CHEMBL284391, SCHEMBL2298466, SCHEMBL2411874, SCHEMBL4623449, SCHEMBL6359304, BUTYL ACETATE [USP-RS], N-BUTYL ACETATE [HSDB], n-Butyl acetate Biochemical grade, NSC9298, Butyl acetate, ampule of 100 mg, Butyl acetate, analytical standard, Butyl acetate, anhydrous, >=99%, Butyl acetate, for HPLC, 99.7%, n-Butyl acetate, analytical standard, Tox21_201052, n-Butyl acetate, Semiconductor Grade, STL282735, Butyl acetate, >=99%, FCC, FG, AKOS000120198, Butyl acetate, natural, >=98%, FG, EBC-627128, Butyl acetate, ACS reagent, >=99.5%, Butyl acetate, ReagentPlus(R), 99.5%, NCGC00091573-01, NCGC00091573-02, NCGC00258605-01, CAS-123-86-4, A0024, A0228, Butyl acetate, SAJ first grade, >=98.0%, NS00009199, Butyl acetate, JIS special grade, >=99.0%, EN300-21265, n-Butylacetate 100 microg/mL in Acetonitrile, n-Butyl acetate [UN1123]  [Flammable liquid], Q411073, Butyl Acetate; Tributyl Acetylcitrate EP Impurity E, TRIBUTYL ACETYLCITRATE IMPURITY E [EP IMPURITY], F0001-0371, Butyl acetate, >=99.5%, suitable for atomic absorption spectrometry, Butyl acetate, United States Pharmacopeia (USP) Reference Standard, InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H, Acetic Acid Butyl Ester; 1-Butyl Acetate; Acetic Acid n-Butyl Ester; Butyl Ethanoate, Butyl acetate, Pharmaceutical Secondary Standard; Certified Reference Material, 8JZ
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:
physical_state: Colorless liquid
color: Colorless liquid
odor: Strong fruity odor
boiling_point: 259.7 °F at 760 mmHg (NTP, 1992)
melting_point: -108.2 °F (NTP, 1992)
density: 0.875 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 to 5 mg/mL at 68 °F (NTP, 1992)
flash_point: 72 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Butyl acetate is the acetate ester of butanol. It has a role as a metabolite. It is functionally related to a butan-1-ol.
chebi: The acetate ester of butanol.
chembl: ACETIC ACID BUTYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: n-Butyl acetate is an organic compound with the formula CH3CO2(CH2)3CH3. A colorless, flammable liquid, it is the ester derived from n-butanol and acetic acid. It is found in many types of fruit, where it imparts characteristic flavors and has a sweet smell of banana or apple. It is used as an industrial solvent.
The other three isomers (four, including stereoisomers) of butyl acetate are isobutyl acetate, tert-butyl acetate, and sec-butyl acetate (two enantiomers).