Compound: ETHYL ACETATE
SMILES: O=C(OCC)C
InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
Synonyms: ETHYL ACETATE, 141-78-6, Ethyl ethanoate, Acetic acid ethyl ester, Vinegar naphtha, Acetoxyethane, Acetic ether, Ethyl acetic ester, Acetic acid, ethyl ester, Acetidin, Ethylacetate, Essigester, Acetic ester, EtOAc, Aethylacetat, RCRA waste number U112, Ethylacetaat, Octan etylu, FEMA No. 2414, Etile (acetato di), Ethyle (acetate d'), Acetate d'ethyle, Acetato de etilo, Ethylester kyseliny octove, Ethyl ester of acetic acid, DTXSID1022001, Acetyl ester, CHEBI:27750, NSC-70930, EPA Pesticide Chemical Code 044003, AI3-00404, 76845O8NMZ, DTXCID602001, NSC70930, RefChem:6637, 205-500-4, Ethylacetat, 1-acetoxyethane, AcOEt, MFCD00009171, NSC 70930, Ethyl acetate [NF], acetic-acid-ethylester, ETHYL ACETATE (1-13C), ETHYL ACETATE (2-13C), Ethyl acetate (NF), NCGC00091766-01, E1504, Ethyl acetate, ACS reagent, Ethyl acetate; Ethyl ethanoate, Essigester [German], Ethylacetaat [Dutch], Aethylacetat [German], Caswell No. 429, Octan etylu [Polish], ethyl-acetate, Ethyl acetate (natural), acetic acid ethyl, Acetate d'ethyle [French], Acetato de etilo [Spanish], Ethyl acetate, ACS reagent, >=99.5%, CAS-141-78-6, HSDB 83, Etile (acetato di) [Italian], CCRIS 6036, Ethyle (acetate d') [French], Ethylester kyseliny octove [Czech], EINECS 205-500-4, UN1173, CH3COOC2H5, RCRA waste no. U112, ethylaceate, ethylactate, ethylacteate, Ethylazetat, Etylacetate, acet-ethylester, ehtyl acetate, ethanol acetate, ethly acetate, ethyl acteate, ethyl_acetate, ehyl acetate, ethl acetate, ethy acetate, ethyl aceate, ethyl actate, etyl acetate, UNII-76845O8NMZ, acet-eth-ester, 1-ethyl acetate, 2~ethyl acetate, ACETIC-2,2,2-D3 ACID,ETHYL-1,1,2,2,2-D5 ESTER, acetic ethyl ester, Etile(acetato di), Essigsaeureethylester, Et-OAc, Ethyle(acetate d'), acetic acid ethylester, Ethyl Acetate, HPLC, CH3CO2Et, Ethyl acetate HPLC grade, Ethyl acetate, for HPLC, Ethyl acetate, 99.9%, Ethyl acetate, ACS grade, SCHEMBL155, CH3CO2CH2CH3, Epitope ID:116868, EC 205-500-4, ETHYL ACETATE [II], ETHYL ACETATE [MI], Ethyl acetate, HPLC Grade, SCHEMBL5151, CH3CO2C2H5, ETHYL ACETATE [FCC], CH3-CO-O-CH3, SCHEMBL22552, SCHEMBL22553, ETHYL ACETATE [FHFI], ETHYL ACETATE [HSDB], Ethyl acetate, >=99.5%, WLN: 2OV1, CHEMBL14152, SCHEMBL845172, ACETIC ACID,ETHYL ESTER, ETHYL ACETATE [MART.], Ethyl acetate, AR, >=99%, Ethyl acetate, LR, >=99%, SCHEMBL5179908, SCHEMBL8776921, SCHEMBL9464138, ETHYL ACETATE [USP-RS], ETHYL ACETATE [WHO-DD], Ethyl acetate, analytical standard, Ethyl acetate, Environmental Grade, Ethyl acetate, anhydrous, 99.8%, AAA14178, Ethyl acetate, 99.9% low benzene, Tox21_111166, Tox21_202512, BDBM50128823, c0036, ETHYL ACETATE [EP MONOGRAPH], MSK6707-100M, STL282717, Ethyl acetate, >=99%, FCC, FG, Ethyl acetate, HPLC grade, 99.8%, AKOS000121947, EBC-610995, Ethyl acetate, Spectrophotometric Grade, UN 1173, Ethyl acetate, for HPLC, >=99.5%, Ethyl acetate, for HPLC, >=99.7%, Ethyl acetate, for HPLC, >=99.8%, NCGC00260061-01, Ethyl acetate, biotech. grade, >=99.8%, Ethyl acetate, ReagentPlus(R), >=99.8%, Ethyl acetate, tested according to Ph.Eur., A0030, Ethyl acetate 100 microg/mL in Acetonitrile, Ethyl acetate, natural, >=99%, FCC, FG, Ethyl acetate, SAJ first grade, >=99.0%, NS00004207, Q0040, EN300-31487, Ethyl acetate [UN1173]  [Flammable liquid], Ethyl acetate Solution in Methanol, 100ug/mL, Ethyl acetate, for HPLC, >=99.8% (GC), Ethyl acetate, JIS special grade, >=99.5%, C00849, D02319, F035909, Q407153, Ethyl acetate, Laboratory Reagent, >=99.0% (GC), Ethyl acetate, UV-IR min. 99.8%, isocratic grade, F0001-0489, InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H, Ethyl acetate, puriss. p.a., ACS reagent, >=99.5% (GC), Ethyl acetate, United States Pharmacopeia (USP) Reference Standard, Ethylacetate, pure, meets the analytical specifications of Ph. Eur., Ethyl Acetate, Pharmaceutical Secondary Standard; Certified Reference Material, Ethyl acetate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC), Ethyl acetate, puriss. p.a., free of higher boiling impurities, >=99.9% (GC), Ethyl acetate, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99.5% (GC)
Theoretical properties:
molecular_formula: C4H8O2
molecular_weight: 88.11 g/mol
exact_mass: 88.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 6
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear, volatile
color: Clear, volatile
odor: CHARACTERISTIC ETHER-LIKE ODOR REMINISCENT OF PINEAPPLE.
boiling_point: 171 °F at 760 mmHg (NTP, 1992)
melting_point: -118.5 °F (NTP, 1992)
density: 0.902 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 50 to 100 mg/mL at 70 °F (NTP, 1992)
flash_point: 24 °F (NTP, 1992)
vapor_pressure: 73 mmHg at 68 °F ; 100 mmHg at 81 °F (NTP, 1992)
Descriptions:
pubchem: Ethyl acetate is the acetate ester formed between acetic acid and ethanol. It has a role as a metabolite, a polar aprotic solvent, a Saccharomyces cerevisiae metabolite and an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. It is a volatile organic compound, an ethyl ester and an acetate ester.
chebi: The acetate ester formed between acetic acid and ethanol.
chembl: ETHYL ACETATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Ethyl acetate (commonly abbreviated EtOAc or EA) is the organic compound with the formula CH3CO2CH2CH3, simplified to C4H8O2. This flammable, colorless liquid has a characteristic sweet smell (similar to pear drops) and is used in glues, nail polish removers, and the decaffeination process of tea and coffee. Ethyl acetate is the ester of ethanol and acetic acid; it is manufactured on a large scale for use as a solvent.