IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product NameEthyl acetateIUPAC Nameethyl acetate Molecular StructureCAS Registry Number 141-78-6EINECS Number205-500-4MDL NumberMFCD00009171Beilstein Registry Number506104SynonymsETHYL ACETATE141-78-6Ethyl ethanoateAcetic acid ethyl esterAcetoxyethaneVinegar naphthaAcetic etherEthyl acetic esterAcetic acid, ethyl esterAcetidinEthylacetateEssigesterEtOAcAcetic esterAethylacetatEthylacetat1-acetoxyethaneAcOEtRCRA waste number U112EthylacetaatOctan etyluFEMA No. 2414Etile (acetato di)EthylazetatCaswell No. 429Ethyle (acetate d')Acetate d'ethyleAcetato de etiloEthyl acetate (natural)Ethylester kyseliny octoveCHEBI:27750Essigsaeureethylesteracetic-acid-ethylesterHSDB 83NSC 70930CCRIS 6036acet-ethylesterethyl-acetateacet-eth-esterEthyl ester of acetic acidEINECS 205-500-4MFCD00009171NSC-70930CH3-CO-O-CH3EPA Pesticide Chemical Code 044003UNII-76845O8NMZEthyl acetate DTXSID1022001Ethyl Acetate, HPLCAI3-0040476845O8NMZDTXCID602001EC 205-500-4ETHYL ACETATE (1-13C)ETHYL ACETATE (2-13C)NSC70930Ethyl acetate (NF)NCGC00091766-01E1504ETHYL ACETATE (II)ETHYL ACETATE Ethyl acetate, ACS reagentETHYL ACETATE (MART.)ETHYL ACETATE Ethyl acetate; Ethyl ethanoateEssigester Ethylacetaat Aethylacetat Octan etylu ETHYL ACETATE (EP MONOGRAPH)ETHYL ACETATE acetic acid ethylAcetate d'ethyle Acetato de etilo Ethyl acetate, ACS reagent, >=99.5%CAS-141-78-6Etile (acetato di) Ethyle (acetate d') Ethylester kyseliny octove UN1173CH3COOC2H5RCRA waste no. U112ethylaceateethylactateethylacteateEtylacetateehtyl acetateethanol acetateethly acetateethyl acteateethyl_acetateehyl acetateethl acetateethy acetateethyl aceateethyl actateetyl acetateAcetyl ester1-ethyl acetate2~ethyl acetateacetic ethyl esterEtile(acetato di)Et-OAcEthyle(acetate d')Caswell No 429acetic acid ethylesterCH3CO2EtEthyl acetate HPLC gradeEthyl acetate, for HPLCEthyl acetate, 99.9%Ethyl acetate, ACS gradeCH3CO2CH2CH3Epitope ID:116868ETHYL ACETATE Ethyl acetate, HPLC GradeCH3CO2C2H5ETHYL ACETATE ETHYL ACETATE ETHYL ACETATE } -->
Physical Data
AppearanceTransparent ilquid,no visible impuritiesEthanol≤0.10%(m/m)Density(20°C) 0.897-0.902(g/cm3)Residue on evaporation≤0.001%(m/m)
Melting Point, °C Solvent (Melting Point) -83.6-83.75-155.5ethanolmethyl formate-83.58
Boiling Point, °CPressure (Boiling Point), Torr7777.577.0577.1760.051
Density, g·cm-3Measurement Temperature, °C0.8697244.990.87639.990.8884129.990.8945424.990.9071834.99
Description (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))Sorption diagrampolyaniline/silica microsphere/graphene aerogelAdsorption129.84silica modified with octyl trichlorosilaneSorption diagram170modified MCM-41 adsorbentAdsorptionDowex L-285 modified with 0.05 weight parts of uracil
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hdimethylsulfoxide-d6NMR with shift reagents, Chemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum13C150.9Chemical shifts13Cchloroform-d1Chemical shifts, Spectrum1Hchloroform-d125500
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °CMid IR (MIR), Bandsnujol BandsBandsheptaneNear IR spectrumSpectrumCCl425
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1SolvatochromismAbsorption maximaheptane212Absorption maximaSpectrumethanol200 - 370 nm
Route of Synthesis (ROS)
Route of Synthesis (ROS) of Ethyl acetate CAS 141-78-6
ConditionsYieldWith hydrazine hydrate at 85℃; for 0.00277778h;Experimental ProcedureEthyl acetate was injected into the microchannel reactor or pipeline reactor through a metering pump at a flow rate of 20 ml/min. 80% by mass of hydrazine hydrate was injected into the microchannel reactor or pipeline reactor through another metering pump at a flow rate of 25.5 ml/min. React at 85 ° C for 10 seconds, Flow out of the microchannel reactor or pipeline reactor, Collecting reaction materials, Falling film distillation, Collecting products, Yield 99%, The content is 99.8%.99%With hydrazine hydrate98%With hydrazine hydrate In ethanol; ethyl acetate for 4h; Reflux;Experimental ProcedureA mixture of EtOAc (10 g, 113.5 mmol) and hydrazine hydrate (10 mL, 257.3 mmol,25.73 mol/L) in ethanol (15 mL) was refluxed for 4 hours. After the reaction was complete, themixture was cooled to rt and concentrated in vacuo to afford a white product 8-2 (8.2 g, 98%) as a solid. MS (ESI, pos.ion) m/z: 75+.98%
Safety and Hazards
Pictogram(s)SignalDangerGHS Hazard StatementsH225: Highly Flammable liquid and vapor H319: Causes serious eye irritation H336: May cause drowsiness or dizziness Precautionary Statement CodesP210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)
Other Data
DruglikenessLipinski rules componentMolecular Weight88.1063logP0.664HBA2HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)26.3Rotatable Bond (RotB)2Matching Veber Rules2
Toxicity/Safety PharmacologyQuantitative Results
Use Pattern3-Aminopyridine CAS#: 462-08-8 is an intermediate in pesticides and dyes; pesticide raw materials; analytical reagents.
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