Structure & Deep Data of Acetaldehyde (C2H4O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The acetaldehyde molecule contains a total of 6 bond(s). There are 2 non-H bond(s), 1 multiple bond(s), 1 double bond(s), and 1 aldehyde(s) (aliphatic). Images of the chemical structure of acetaldehyde are given below:

The 2D chemical structure image of acetaldehyde is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of acetaldehyde 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 acetaldehyde 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 acetaldehyde. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Acetaldehyde Molecule

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

  The SMILES string of acetaldehyde is CC=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the acetaldehyde.

• Structure Data File (SDF/MOL File) of acetaldehyde

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

• Chemical formula of acetaldehyde

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

• Molecular weight of acetaldehyde

  The molecular weight of acetaldehyde is available in molecular weight page of acetaldehyde, 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 acetaldehyde

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

  • BBV-46883617
  • Acetaldehyde-d4
  • Acetaldehyde solution, natural, 50 wt. % in ethanol, analytical standard
  • I14-113209
  • F2190-0651
  • Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)
  • Acetaldehyde solution, natural, 50 wt. % ethanol, FG
  • I14-57914
  • BRD-K77914232-001-01-3
  • Acetaldehyde solution, natural, 50 wt. % in ethanol

  • I14-6219
  • A838317
  • Acetaldehyde, ReagentPlus(R), >=99.0% (GC)
  • Acetaldehyde solution, 40 wt. % in isopropanol
  • Acetaldehyde solution, 50 wt. % (triacetin)
  • Acetaldehyde solution, 50 wt. % in ethanol
  • Acetaldehyde [UN1089] [Flammable liquid]
  • Acetaldehyde, SAJ first grade, >=90.0%
  • Acetaldehyde [UN1089] [Flammable liquid]
  • Acetaldehyde solution, 40 wt. % in H2O

  • Acetaldehyde, >=99%, FCC, stabilized
  • CAS-75-07-0
  • Acetaldehyde, ACS reagent, >=99.5%
  • UN 1089
  • RTR-024198
  • Acetaldehyde, ReagentPlus(R), 99%
  • Acetaldehyde, natural, >=99%, FG
  • Acetaldehyde solution, 5 M in THF
  • LTBB001460
  • HMDB00990

  • Acetaldehyde, analytical standard
  • GTPL6277
  • Acetaldehyde, >=99%, FCC
  • Acetaldehyde, 98% 100ml
  • BIDD:ER0621
  • Acetaldehyde, >=99%, FG
  • an oxidized polyvinyl alcohol
  • oxidised poly(vinyl alcohol)
  • Epitope ID:145667
  • bmse000647

  • GO1N1ZPR3B
  • Oxidized polyvinyl alcohol
  • ACETALDEHYDE, ACS
  • NATURAL ALDEFRESH
  • CH3CHO
  • CH2CHO
  • QMHAIX@
  • Acetaldehyde polymerized
  • ACETALD
  • Aldehyde C(2)

  • Acetaldehyde Natural
  • Acetaldehyde 10%
  • ethan-1-one
  • acetic hydride
  • Acetan
  • Ethylaldehyde
  • Aceticaldehyde
  • Aceteldehyde
  • Acetaldeyde
  • acetoaldehyde

  • Acetaldehyde, >=99%, meets FCC analytical specification
  • MFCD00006991
  • 1-oxapropylene
  • RCRA waste no. U001
  • ACETYL GROUP
  • FEMA No. 2003
  • ethanone
  • Aldehyde acetique [French]
  • Aldeide acetica [Italian]
  • Octowy aldehyd [Polish]

  • ethaldehyde
  • Acetaldehyd [German]
  • Acetaldehyde (natural)
  • RCRA waste number U001
  • Azetaldehyd
  • acetaldehydes
  • Aldehyde acetique
  • Octowy aldehyd
  • Aldeide acetica
  • Acetic ethanol

  • aldehyde
  • Acetylaldehyde
  • Acetaldehyd
  • 75-07-0
  • ethyl aldehyde
  • acetic aldehyde
  • ethanal

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Acetaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of acetaldehyde?
C2H4O
How many atoms and what are the elements included the acetaldehyde molecule?
7 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the acetaldehyde structure?
6 bond(s) - 2 non-H bond(s), 1 multiple bond(s), 1 double bond(s), and 1 aldehyde(s) (aliphatic)
What’s the acetaldehyde’s molecular weight?
44.05256 g/mol
What’s the SMILES code of acetaldehyde?
CC=O
What’s the InChI string of acetaldehyde?
InChI=1S/C2H4O/c1-2-3/h2H,1H3
What’s the InChIKey code of acetaldehyde?
IKHGUXGNUITLKF-UHFFFAOYSA-N

7067 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).