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SDF/Mol File of ETHYLENE GLYCOL (C2H6O2)

Identification of ETHYLENE GLYCOL Chemical Compound

2D chemical structure image of ETHYLENE GLYCOL
Chemical Formula C2H6O2
Molecular Weight 62.06784 g/mol
IUPAC Name ethane-1,2-diol
SMILES String OCCO
InChI InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKey LYCAIKOWRPUZTN-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of ETHYLENE GLYCOL is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of ETHYLENE GLYCOL molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of ETHYLENE GLYCOL
Ball-and-stick model of ETHYLENE GLYCOL

chemical table area

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying ETHYLENE GLYCOL Molecule

  • Chemical structure of ETHYLENE GLYCOL

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of ETHYLENE GLYCOL is available in chemical structure page of ETHYLENE GLYCOL, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of ETHYLENE GLYCOL

    The molecular weight of ETHYLENE GLYCOL is available in molecular weight page of ETHYLENE GLYCOL, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of ETHYLENE GLYCOL

    The chemical formula of ETHYLENE GLYCOL is given in chemical formula page of ETHYLENE GLYCOL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of ETHYLENE GLYCOL

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of ETHYLENE GLYCOL is:

    InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

    It can provide a standard way to encode the molecular information of ETHYLENE GLYCOL to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ETHYLENE GLYCOL is:

    InChIKey=LYCAIKOWRPUZTN-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for ETHYLENE GLYCOL, but it needs to be linked to the full InChI to get back to the original structure of the ETHYLENE GLYCOL since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of ETHYLENE GLYCOL

    The ETHYLENE GLYCOL compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of ETHYLENE GLYCOL including the registry numbers are listed below, if available:

    • BBV-46883671
    • AR-1J1248
    • Residual Solvent Class 2 - Ethylene Glycol, United States Pharmacopeia (USP) Reference Standard
    • Ethylene glycol solution, NMR reference standard, 80% in DMSO-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
    • Ethylene glycol solution, NMR reference standard, 80% in DMSO-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
    • EGL
    • 849688-22-8
    • 71767-64-1
    • 37221-95-7
    • 1173022-10-0
    • Ethylene glycol, United States Pharmacopeia (USP) Reference Standard
    • Ethylene glycol, pharmaceutical secondary standard; traceable to USP
    • Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-
    • 004143F9-240E-472F-9D5A-B1B13BBA2A18
    • F0001-0142
    • 3B1-003208
    • 3B1-003207
    • 3B1-000223
    • Poly(oxy-1,2-ethanediyl, alpha-hydro-omega-hydroxy-
    • Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-hydroxy-
    • I14-17827
    • J-001731
    • Ethylene glycol, spectrophotometric grade, >=99%
    • alpha-Hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)
    • Ethylene glycol, Vetec(TM) reagent grade, 98%
    • Ethanol, 2,2'-(oxybis(2,1-ethanediyloxy)bis-
    • Ethylene glycol, JIS special grade, >=99.5%
    • D06423
    • D06422
    • D06421
    • D06420
    • D06419
    • D06418
    • D03370
    • Ethylene glycol, SAJ first grade, >=99.0%
    • Ethylene glycol, BioUltra, >=99.5% (GC)
    • Ethylene glycol, puriss., >=99.5% (GC)
    • E0105
    • Pluracol E 400, E 600, E 1450
    • DuPont Zonyl FSE Fluorinated Surfactants
    • Ethylene glycol, ReagentPlus(R), >=99%
    • Dihydrocarveol, (-)-, mixture of isomers
    • Polyethylene glycol, MW ~ 200 500g
    • polyethylene glycol (m w 200-9,500)
    • Oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-, polymer with alpha-hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)
    • M430
    • alpha-Hydro-omega-hydroxypoly(oxyethylene)
    • 37225-26-6
    • Ethylene glycol, Spectrophotometric grade
    • DuPont Zonyl FSE Fluorinated Surfactants
    • TRA-0183678
    • 61266-70-4 2-Hydroxymethyloxethane
    • RTR-001403
    • Polyethylene oxide, M.W. 300,000
    • Polyethylene oxide, M.W. 100,000
    • DD 3002
    • M.W range 3,000-3,700
    • 1,2-OO paragraph signthorn (1/4)
    • Polyethylene Glycol 8000, NF FCC
    • HM 500
    • Ethylene glycol, anhydrous, 99.8%
    • ANW-15497
    • Ethylene glycol, analytical standard
    • PEG 3600
    • 1,2-ETHANEDIOL (GLYCOL)
    • Ethylene glycol, p.a., 99.5%
    • LTBB002421
    • HMS2267F07
    • WSR-301
    • BDH 301
    • Ethylene glycol, 99% 500g
    • ETHYL, 1,2-DIHYDROXY-
    • Macrogol 20000 (JP17)
    • Ethylene glycol, LR, >=99%
    • Ethylene glycol, AR, >=99%
    • PEG 6000DS
    • CAFO 154
    • Macrogol 6000 (JP17)
    • Macrogol 4000 (JP17)
    • Macrogol 1500 (JP17)
    • BIDD:ER0283
    • Polyethylene glycol, diglycidyl bisphenol A polymer
    • Ethylene glycol 5 M solution
    • Polyethylene Glycol 300 NF
    • Macrogol 400 (JP17)
    • M.E.G
    • Glycol, polyethylene(300)
    • FC72KVT52F
    • HO-CH2-CH2-OH
    • Macrogol ointment (JP17)
    • Ethoxylated 1,2-ethanediol
    • 1,2-Ethanediol homopolymer
    • Polyethylene Glycol 6000
    • Macrogol 6000 (TN)
    • Macrogol 4000 (TN)
    • Macrogol 1500 (TN)
    • Ethylene glycol homopolymer
    • Sentry polyox WSR (TN)
    • Polyethylene glycol (NF)
    • Alkox R 1000
    • Polyethylene oxide (NF)
    • Macrogol 400 (TN)
    • Poly-G600
    • Breox 4000
    • Breox 2000
    • Alkox R 400
    • Alkox R 150
    • Alkox E 240
    • Alkox E 160
    • Alkox E 130
    • Alkox E 100
    • HOCH2CH2OH
    • Breox PEG 300
    • Breox 550
    • Atpeg 300
    • Antarox E 4000
    • Alkox R 15
    • Alkox E 75
    • Alkox E 60
    • Alkox E 45
    • Alcox E 30
    • Ethylene glycol polymer
    • Emkapol 4200
    • Carbowax 25000
    • Carbowax 20000
    • Carbowax 14000
    • ARGOGELTM-OH
    • Pluriol E 200
    • Gafanol E 200
    • Lutrol E (TN)
    • Breox 20M
    • 1,2-ethylene-glycol
    • Carbowax 4600
    • Carbowax 4500
    • Carbowax 3350
    • Carbowax 1540
    • Carbowax 1500
    • Carbowax 1350
    • Mono Ethylene Glycol
    • Polyox wsr-N 60
    • Carbowax 600
    • Carbowax 200
    • Carbowax 100
    • ethan-1,2-diol
    • ArgoGel™-OH
    • 1,2-ethyleneglycol
    • Hypodicarbonous acid
    • GXT
    • 1,2-ethane-diol
    • 1,2-ethane diol
    • Solbanon (TN)
    • Carbowax 20
    • Poly-G
    • Oxyethylene polymer
    • Oxide Wax AN
    • Alkox SR
    • MEG 100
    • Merpol OJ
    • ethylene alcohol
    • Bradsyn PEG
    • Ilexan E
    • Aquacide III
    • Pluracol E
    • Carbowax Sentry
    • Lutrol
    • ethylene-glycol
    • ethylen glycol
    • ehtylene glycol
    • Nycoline
    • Nosilen
    • Modopeg
    • Carbowax
    • Badimol
    • Aquaffin
    • Athylenglykol
    • Polyethylene glycol 3350
    • Glycols, polyethylene
    • CAS-107-21-1
    • Glycol, polyethylene
    • H(OCH2CH2)nOH
    • DuPont Zonyl FSO Fluorinated Surfactants
    • PEG
    • MFCD00002885
    • PEG 4000
    • PEG 400
    • EPA Pesticide Chemical Code 042203
    • Polyethylene Glycol 4000
    • Polyethylene glycol 1000
    • M.e.g.
    • PEG 3350
    • Union Carbide XL 54 Type I De-icing Fluid
    • 1,2-ethylene glycol
    • Dowtherm 4000
    • Carbowax 1000
    • Carbowax 400
    • Carbowax 300
    • Lutrol 9
    • 146AR
    • Polyethylene glycol 200
    • Aethylenglykol [German]
    • Ethylenglycol
    • Caswell No. 441
    • 1,2-Ethandiol
    • Glycol, ethylene-
    • Aethylenglykol
    • ethanediol
    • Lutrol-9
    • Ucar 17
    • Zerex
    • Dowtherm SR 1
    • Macrogol 400 BPC
    • Norkool
    • Macrogol
    • polyethylene glycol
    • Ethylene dihydrate
    • Tescol
    • Fridex
    • Ethylene alcohol
    • Glycol alcohol
    • 2-hydroxyethanol
    • 1,2-Dihydroxyethane
    • monoethylene glycol
    • 107-21-1
    • glycol
    • 1,2-ethanediol
    • ETHYLENE GLYCOL

ETHYLENE GLYCOL Identification Summary Frequently Asked Questions (FAQs)

What’s the ETHYLENE GLYCOL formula?
C2H6O2
How many atoms and what elements are included in the ETHYLENE GLYCOL molecule?
10 atom(s) - 6 Hydrogen atom(s), 2 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the ETHYLENE GLYCOL structure?
9 bond(s) - 3 non-H bond(s), 1 rotatable bond(s), 2 hydroxyl group(s), and 2 primary alcohol(s)
What’s the ETHYLENE GLYCOL’s molar mass?
62.06784 g/mol
What’s the SMILES structure of ETHYLENE GLYCOL?
OCCO
What’s the InChI code of ETHYLENE GLYCOL?
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
What’s the InChIKey format of ETHYLENE GLYCOL?
LYCAIKOWRPUZTN-UHFFFAOYSA-N

1892 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).

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