Compound: ISOPROPYL ACETATE
SMILES: O=C(OC(C)C)C
InChIKey: JMMWKPVZQRWMSS-UHFFFAOYSA-N
Synonyms: ISOPROPYL ACETATE, 108-21-4, propan-2-yl acetate, 2-Propyl acetate, 2-Acetoxypropane, Acetic acid, 1-methylethyl ester, Isopropyl ethanoate, Isopropylacetat, Paracetat, Isopropylacetaat, Acetic Acid, isopropyl ester, 1-Methylethyl acetate, Acetate d'isopropyle, Isopropylester kyseliny octove, Isopropile (acetato di), Isopropyl (acetate d'), FEMA No. 2926, Isopropyl ester of acetic acid, Isopropyle (acetate d'), DTXSID2025478, 1Y67AFK870, NSC-9295, DTXCID605478, 1-Methylethyl ester of acetic acid, RefChem:5920, 203-561-1, Acetic Acid Isopropyl Ester, Ispropyl acetate, Isopropile(acetato di), NSC 9295, iso-propyl acetate, sec-Propyl acetate, IPAc, MFCD00008877, Acetic acid-isopropyl ester, CH3COOCH(CH3)2, Acetic acid, 2-propyl ester, Isopropylacetaat [Dutch], Isopropylacetat [German], CAS-108-21-4, Acetate d'isopropyle [French], CCRIS 6053, HSDB 159, Acetic acid 1-methylethyl ester, Isopropyl (acetate d') [French], Isopropyle (acetate d') [French], Isopropile (acetato di) [Italian], EINECS 203-561-1, UN1220, Isopropylester kyseliny octove [Czech], BRN 1740761, UNII-1Y67AFK870, iso-propylacetate, i-propyl acetate, AcOiPr, iPrOAc, iso-PrOAc, so-Propyl acetate, i-PrOAc, Iso Propyl Acetate, Tri IPAC, T-IsoPropyl Acetate, T-Iso Propyl Acetate, Tri IsoPropyl Acetate, Isopropyl(acetate d'), Isopropylacetat(german), Tri Iso Propyl Acetate, Isopropyl acetate, 98%, Isopropyl acetate, 99%, EC 203-561-1, Isopropyl acetate [UN1220] [Flammable liquid], WLN: 1YOV1, 1-Methylethyl acetate, 9CI, SCHEMBL19193, SCHEMBL27582, SCHEMBL50977, 4-02-00-00141 (Beilstein Handbook Reference), SCHEMBL452132, ISOPROPYL ACETATE [MI], SCHEMBL1218122, SCHEMBL2410170, SCHEMBL2884654, SCHEMBL3154688, SCHEMBL4740246, SCHEMBL5074472, ISOPROPYL ACETATE [FCC], Isopropyl acetate, >=99.6%, CHEMBL1608674, ISOPROPYL ACETATE [FHFI], ISOPROPYL ACETATE [HSDB], SCHEMBL10392043, FEMA 2926, NSC9295, CHEBI:230546, ISOPROPYL ACETATE [USP-RS], Isopropyl acetate, >=99%, FCC, Tox21_201443, Tox21_303287, MSK000111, Isopropyl acetate, analytical standard, AKOS008949447, AT32600, EBC-627129, UN 1220, MSK000111-1000M, NCGC00091731-01, NCGC00091731-02, NCGC00257073-01, NCGC00258994-01, FI153395, LS-13071, A0036, NS00005278, EN300-42702, F099370, Isopropyl acetate [UN1220]  [Flammable liquid], Q419799, Isopropyl acetate Solution in Methanol, 1000ug/mL, Isopropyl acetate, puriss. p.a., >=99.5% (GC), Isopropyl acetate, anhydrous, ZerO2(TM), >=99.6%, InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H, Isopropyl acetate, United States Pharmacopeia (USP) Reference Standard
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: 2
heavy_atom_count: 7
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Water-white liquid
color: Water-white liquid
odor: Aromatic
boiling_point: 190 to 196 °F at 743.3 mmHg (NTP, 1992)
melting_point: -100.1 °F (NTP, 1992)
density: 0.874 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 to 10 mg/mL at 68 °F (NTP, 1992)
flash_point: 36 °F (NTP, 1992)
vapor_pressure: 1 mmHg at -36.9 °F ; 100 mmHg at 96.3 °F; 760 mmHg at 192.2 °F (NTP, 1992)
Descriptions:
pubchem: Isopropyl acetate is a carboxylic ester.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isopropyl acetate (commonly abbreviated IPAc or iPrOAc) is an ester, an organic compound which is the product of esterification of acetic acid and isopropanol.  It is a clear, colorless liquid with a characteristic fruity odor.
Isopropyl acetate is a solvent with a wide variety of manufacturing uses that is miscible with most other organic solvents and is slightly soluble in water (2.9 wt% at 20 °C), though less so than ethyl acetate. Inversely, water is also slightly soluble in isopropyl acetate (1.8 wt% at 20 °C). Isopropyl acetate forms an azeotrope with water, allowing for anhydrous solutions to be easily achieved through evaporation with an azeotrope composition of 88.9 wt% isopropyl acetate. It is used as a solvent for cellulose, plastics, oil and fats.  It is a component of some printing inks and perfumes.
Isopropyl acetate decomposes slowly on contact with steel in the presence of air, producing acetic acid and isopropanol. It reacts violently with oxidizing materials and it attacks many plastics.
Isopropyl acetate is quite flammable in both its liquid and vapor forms, and it may be harmful if swallowed or inhaled.
The Occupational Safety and Health Administration has set a permissible exposure limit (PEL) of 250 ppm (950 mg/m3) over an eight-hour time-weighted average for workers handling isopropyl acetate.