Structure & Deep Data of ETHYL ACETATE (C4H8O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ETHYL ACETATE molecule contains a total of 13 bond(s). There are 5 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of ETHYL ACETATE are given below:

The 2D chemical structure image of ETHYL ACETATE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ETHYL ACETATE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of ETHYL ACETATE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ETHYL ACETATE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying ETHYL ACETATE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of ETHYL ACETATE

  The SMILES string of ETHYL ACETATE is CCOC(C)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ETHYL ACETATE.

• Structure Data File (SDF/MOL File) of ETHYL ACETATE

  The structure data file (SDF/MOL File) of ETHYL ACETATE is available for download in the SDF page of ETHYL ACETATE, which provides the information about the atoms, bonds, connectivity and coordinates of ETHYL ACETATE. The ETHYL ACETATE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of ETHYL ACETATE

  The molecular formula of ETHYL ACETATE is available in chemical formula page of ETHYL ACETATE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of ETHYL ACETATE

  The molecular weight of ETHYL ACETATE is available in molecular weight page of ETHYL ACETATE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of ETHYL ACETATE

  The ETHYL ACETATE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ETHYL ACETATE including the various registry numbers, if available:

  • EN300-31487
  • BBV-46871795
  • Ethyl acetate, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99.5% (GC)
  • Ethyl acetate, puriss. p.a., free of higher boiling impurities, >=99.9% (GC)
  • Ethyl acetate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)
  • Ethyl acetate, suitable for 300 per JIS, >=99.5%, for residue analysis
  • Ethyl acetate, suitable for 1000 per JIS, >=99.5%, for residue analysis
  • Ethyl Acetate, pharmaceutical secondary standard; traceable to USP, PhEur
  • Ethyl acetate, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%
  • Ethyl acetate, United States Pharmacopeia (USP) Reference Standard

  • Ethyl acetate, for residue analysis, suitable for 5000 per JIS
  • Ethyl acetate, puriss. p.a., ACS reagent, >=99.5% (GC)
  • ACETIC-2,2,2-D3 ACID,ETHYL-1,1,2,2,2-D5 ESTER
  • Ethyl acetate, HPLC, UV-IR min. 99.9 %, isocratic grade
  • F0001-0489
  • Ethyl acetate, >10 - 82% in a non hazardous diluent
  • J-521240
  • J-007556
  • I14-2577
  • Ethyl acetate, Laboratory Reagent, >=99.0% (GC)

  • A807811
  • 300085X
  • Ethyl acetate, >82% in a non hazardous diluent
  • Ethyl acetate, capillary GC grade, >=99.5%
  • D02319
  • Ethyl acetate, JIS special grade, >=99.5%
  • Ethyl acetate, for HPLC, >=99.8% (GC)
  • Ethyl acetate, ACS, 99.5% min. 500ml
  • Ethyl acetate [UN1173] [Flammable liquid]
  • Q0044

  • Q0040
  • Ethyl acetate, SAJ first grade, >=99.0%
  • Ethyl acetate, natural, >=99%, FCC, FG
  • Ethyl acetate [UN1173] [Flammable liquid]
  • A0030
  • Ethyl acetate, tested according to Ph.Eur.
  • Ethyl acetate, ReagentPlus(R), >=99.8%
  • Ethyl acetate, ReagentPlus(R), >=99.5%
  • Ethyl acetate, biotech. grade, >=99.8%
  • Ethyl acetate, PRA grade, >=99.5%

  • Ethyl acetate, for HPLC, >=99.8%
  • Ethyl acetate, for HPLC, >=99.7%
  • Ethyl acetate, for HPLC, >=99.5%
  • UN 1173
  • RTR-005372
  • Ethyl acetate, Spectrophotometric Grade
  • Ethyl acetate GC, for residue analysis
  • Ethyl acetate, HPLC grade, 99.8%
  • Ethyl acetate, >=99%, FCC, FG
  • BDBM50128823

  • ANW-42221
  • Ethyl acetate, anhydrous, 99.8%
  • LTBB002232
  • Ethyl acetate, Environmental Grade
  • Ethyl acetate, analytical standard
  • 76845O8NMZ
  • ETHYL, 2-(ACETYLOXY)-
  • ETHYL, 1-(ACETYLOXY)-
  • Ethyl Acetate Reagent Grade ACS
  • Ethyl acetate, LR, >=99%

  • Ethyl acetate, AR, >=99%
  • ACETIC ACID,ETHYL ESTER
  • Ethyl acetate, >=99.5%
  • Ethyl acetate, HPLC Grade
  • Epitope ID:116868
  • ETHYL ACETATE, ACS
  • Ethyl acetate, ACS grade
  • Ethyl acetate, 99.9%
  • Ethyl acetate, for HPLC
  • Ethyl acetate HPLC grade

  • Ethyl Acetate, HPLC
  • Ethyl Acetate Natural
  • acetic-acid-ethylester
  • Ethyle(acetate d')
  • ethyl acetate ester
  • Nat.Ethyl Acetate
  • Etile(acetato di)
  • acetic ethyl ester
  • acetic acid ethyl
  • acet-eth-ester

  • Acetyl ester
  • ethyl-acetate
  • ehtyl acetate
  • acet-ethylester
  • Ethyl ester of acetic acid
  • EEE
  • CAS-141-78-6
  • Ethyl acetate, ACS reagent, >=99.5%
  • Acetato de etilo
  • Acetate d'ethyle

  • Ethyl acetate, ACS reagent
  • E1504
  • Ethyl acetate (NF)
  • MFCD00009171
  • ethyl acetat
  • CH3-CO-O-CH3
  • EPA Pesticide Chemical Code 044003
  • RCRA waste no. U112
  • CH3COOC2H5
  • Ethylester kyseliny octove [Czech]

  • acetic acid ethylester
  • Ethyle (acetate d') [French]
  • Ethyl acetate [NF]
  • FEMA No. 2414
  • Etile (acetato di) [Italian]
  • Essigsaeureethylester
  • Acetato de etilo [Spanish]
  • Acetate d'ethyle [French]
  • Ethylester kyseliny octove
  • Ethyl acetate (natural)

  • Ethylazetat
  • Octan etylu [Polish]
  • Ethyle (acetate d')
  • Caswell No. 429
  • Aethylacetat [German]
  • Ethylacetaat [Dutch]
  • Essigester [German]
  • Etile (acetato di)
  • 1-acetoxyethane
  • Octan etylu

  • Ethylacetaat
  • AcOEt
  • RCRA waste number U112
  • Ethyl ester
  • Aethylacetat
  • EtOAc
  • Ethylacetate
  • Acetic ester
  • Essigester
  • Acetidin

  • Acetic acid, ethyl ester
  • Acetic ether
  • Acetic acid ethyl ester
  • Ethyl acetic ester
  • Vinegar naphtha
  • Acetoxyethane
  • 141-78-6
  • Ethyl ethanoate

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ETHYL ACETATE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ETHYL ACETATE?
C4H8O2
How many atoms and what are the elements included the ETHYL ACETATE molecule?
14 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the ETHYL ACETATE structure?
13 bond(s) - 5 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic)
What’s the ETHYL ACETATE’s molecular weight?
88.10512 g/mol
What’s the SMILES code of ETHYL ACETATE?
CCOC(C)=O
What’s the InChI string of ETHYL ACETATE?
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
What’s the InChIKey code of ETHYL ACETATE?
XEKOWRVHYACXOJ-UHFFFAOYSA-N

9942 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).