Compound: ISOBUTYL ACETATE
SMILES: O=C(OCC(C)C)C
InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N
Synonyms: ISOBUTYL ACETATE, 110-19-0, 2-Methylpropyl acetate, Isobutyl ethanoate, 2-Methylpropyl ethanoate, Acetic acid, 2-methylpropyl ester, 2-Methyl-1-propyl acetate, Acetic acid, isobutyl ester, Acetate d'isobutyle, beta-Methylpropyl ethanoate, Isobutylester kyseliny octove, FEMA No. 2175, FEMA Number 2175, 7CR47FO6LF, DTXSID5026837, NSC-8035, DTXCID906837, CHEBI:50569, Isobutyl ester of acetic acid, 2-Methylpropyl ester of acetic acid, RefChem:5912, 203-745-1, Isobutylacetate, Acetic Acid Isobutyl Ester, iso-butyl acetate, Isobutylacetat, i-butyl acetate, Isobutyl acetate (natural), Isobutylazetat, NSC 8035, MFCD00008932, .beta.-Methylpropyl ethanoate, 2-Methyl-1-propanol, acetate, Isobutyl acetate, 99%, Acetate d'isobutyle [French], HSDB 609, EINECS 203-745-1, UN1213, Isobutylester kyseliny octove [Czech], UNII-7CR47FO6LF, BRN 1741909, iso-butylacetate, AI3-15305, AcOiBu, Iso Butyl Acetate, Isobutyl acetate fcc, Tri IBAC, IBAC, Tri IsoButyl Acetate, Essigsaeureisobutylester, Tri Iso Butyl Acetate, Isobutyl acetate, 8CI, beta-methylpropyl acetate, Acetic acid-isobutyl ester, EC 203-745-1, Isobutyl acetate [UN1213] [Flammable liquid], beta -methylpropyl ethanoate, SCHEMBL22678, 2-Methylpropyl acetate, 9CI, 4-02-00-00149 (Beilstein Handbook Reference), CHEMBL46999, ISOBUTYL ACETATE [MI], SCHEMBL126892, SCHEMBL128228, ISOBUTYL ACETATE [FCC], SCHEMBL1440611, SCHEMBL2411137, SCHEMBL2817364, SCHEMBL4869307, ISOBUTYL ACETATE [FHFI], ISOBUTYL ACETATE [HSDB], FEMA 2175, NSC8035, ISOBUTYL ACETATE [USP-RS], WLN: 1Y1 & 1OV1, Tox21_201735, Isobutyl acetate, analytical standard, MSK001508, STL280347, AKOS015901357, Isobutyl acetate, >=98%, FCC, FG, UN 1213, MSK001508-1000M, NCGC00249107-01, NCGC00259284-01, CAS-110-19-0, FI158968, LS-13178, A0034, NS00005635, Isobutyl acetate, natural, >=97%, FCC, FG, Isobutyl acetate [UN1213]  [Flammable liquid], F095004, Isobutyl acetate Solution in Methanol, 1000ug/mL, Q420657, F0001-0218, Acetic acid-isobutyl ester 1000 microg/mL in Acetonitrile, InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H, Isobutyl acetate, United States Pharmacopeia (USP) Reference Standard, Acetic Acid Isobutyl Ester; 2-Methylpropyl Acetate; Isobutyl Acetate; NSC 8035; ?-Methylpropyl Rthanoate
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: 3
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: Fruit-like odor
boiling_point: 243.1 °F at 760 mmHg (USCG, 1999)
melting_point: -142.8 °F (USCG, 1999)
density: 0.871 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 0.6 % at 77 °F (NIOSH, 2024)
flash_point: 62 °F (USCG, 1999)
vapor_pressure: 20.68 mmHg (USCG, 1999)
Descriptions:
pubchem: Isobutyl acetate is the acetate ester of isobutanol. It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to an isobutanol.
chebi: The acetate ester of isobutanol.
chembl: ACETIC ACID ISOBUTYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: The chemical compound isobutyl acetate, also known as 2-methylpropyl ethanoate (IUPAC name) or β-methylpropyl acetate, is a common solvent. It is produced from the esterification of isobutanol with acetic acid. It is used as a solvent for lacquer and nitrocellulose.  Like many esters it has a fruity or floral smell at low concentrations and occurs naturally in raspberries, pears and other plants.  At higher concentrations the odor can be unpleasant and may cause symptoms of central nervous system depression such as nausea, dizziness and headache. 
A common method for preparing isobutyl acetate is Fischer esterification, where precursors isobutyl alcohol and acetic acid are heated in the presence of a strong acid.
Isobutyl acetate has three isomers: n-butyl acetate, tert-butyl acetate, and sec-butyl acetate, which are also common solvents.