Molecular Weight of Butyraldehyde (C4H8O)
Identification of Butyraldehyde Chemical Compound
| Chemical Formula | C4H8O |
|---|---|
| Molecular Weight | 72.10572 g/mol |
| IUPAC Name | butanal |
| SMILES String | CCCC=O |
| InChI | InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
| InChIKey | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
Molecular Weight Description
The butyraldehyde molecule consists of 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s) - a total of 13 atom(s). The molecular weight of butyraldehyde is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 72.10572 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Butyraldehyde Molecule
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Structure Data File (SDF/MOL File) of butyraldehyde
The structure data file (SDF/MOL File) of butyraldehyde is available for download in the SDF page of butyraldehyde, which provides the information on atoms, bonds, connectivity and coordinates of butyraldehyde. The butyraldehyde structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of butyraldehyde
The molecular structure image of butyraldehyde is available in chemical structure page of butyraldehyde, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in butyraldehyde and the chemical bonds that hold the atoms together.
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Chemical formula of butyraldehyde
The molecular formula of butyraldehyde is given in chemical formula page of butyraldehyde, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of butyraldehyde
In addition to the molecular weight information, the structural information of butyraldehyde in a textual expression is available via InChi. The full standard InChI of butyraldehyde is given below:
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
It can provide a way to encode the molecular information of butyraldehyde 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 butyraldehyde is:
InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
It may allow easier web searches for butyraldehyde. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the butyraldehyde as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of butyraldehyde
There may be different names of the butyraldehyde compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- BBV-46875830
- Butyraldehyde, analytical standard, contains ~0.1% 2,6-di-tert-butyl-4-methylphenol and ~1% water as stabilizer
- Butyraldehyde, United States Pharmacopeia (USP) Reference Standard
- F2190-0595
- I14-10599
- J-519974
- J-004978
- Butyraldehyde, purified by redistillation, >=99.5%
- Butyraldehyde [UN1129] [Flammable liquid]
- H21352682A
- Butyraldehyde [UN1129] [Flammable liquid]
- CAS-123-72-8
- TRA-0206347
- UN 1129
- RTR-003712
- Butyraldehyde, natural, >=95%, FG
- ANW-18157
- 7258AF
- LTBB001462
- Butyraldehyde, >=99.0%, dry
- HMDB03543
- Butyraldehyde, 98% 500ml
- Butyraldehyde, >=96.0%
- BUTYL, 1-OXO-
- bmse000972
- Butyraldehyde, 99%
- Butyraldehyde(CZECH
- 1-butanone
- 3-methylpropanal
- n-Butylaldehyde
- butyr-aldehyde
- MFCD00007023
- BUTANAL N-BUTYRALDEHYDE
- n-C3H7CHO
- Butyraldehyde (crude)
- Aldeide butirrica [Italian]
- Aldehyde butyrique [French]
- FEMA Number 2219
- Butyraldehyd [German]
- butan-1-al
- n-Butyl aldehyde
- Butyrylaldehyde
- Aldehyde butyrique
- Aldeide butirrica
- Butyl aldehyde
- Butyraldehyd
- n-Butanal
- Butal
- Butalyde
- Butylaldehyde
- Butyric aldehyde
- Butaldehyde
- Butanaldehyde
- 1-butanal
- Butyral
- n-butyraldehyde
- 123-72-8
- butyraldehyde
- B0751
Butyraldehyde Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of butyraldehyde? |
|---|
| C4H8O |
| How many atoms and what are the elements in the butyraldehyde molecule? |
| 13 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the butyraldehyde structure? |
| 12 bond(s) - 4 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 aldehyde(s) (aliphatic) |
| What’s the molar mass of butyraldehyde? |
| 72.10572 g/mol |
| What’s the SMILES format of butyraldehyde? |
| CCCC=O |
| What’s the InChI format of butyraldehyde? |
| InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
| What’s the InChIKey string of butyraldehyde? |
| ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
1761
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).