Formula of 2-Butoxyethyl laurate (C18H36O3)
Identification of 2-Butoxyethyl laurate Chemical Compound
| Chemical Formula | C18H36O3 |
|---|---|
| Molecular Weight | 300.47664 g/mol |
| IUPAC Name | 2-butoxyethyl dodecanoate |
| SMILES String | CCCCCCCCCCCC(=O)OCCOCCCC |
| InChI | InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3 |
| InChIKey | QJENVPXXRBETHA-UHFFFAOYSA-N |
Chemical Formula Description
The 2-Butoxyethyl laurate molecule contains a total of 57 atom(s). There are 36 Hydrogen atom(s), 18 Carbon atom(s), and 3 Oxygen atom(s). A chemical formula of 2-Butoxyethyl laurate can therefore be written as:
C18H36O3
The chemical formula of 2-Butoxyethyl laurate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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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 2-Butoxyethyl laurate Molecule
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Structure Data File (SDF/MOL File) of 2-Butoxyethyl laurate
The structure data file (SDF/MOL File) of 2-Butoxyethyl laurate is available for download in the SDF page of 2-Butoxyethyl laurate providing the information about the atoms, bonds, connectivity and coordinates of 2-Butoxyethyl laurate, which is not completely available in the chemical formula representation. The 2-Butoxyethyl laurate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 2-Butoxyethyl laurate
The chemical structure image of 2-Butoxyethyl laurate is available in chemical structure page of 2-Butoxyethyl laurate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 2-Butoxyethyl laurate and the chemical bonds that hold the atoms together.
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Molecular weight of 2-Butoxyethyl laurate
The molecular weight of 2-Butoxyethyl laurate is available in molecular weight page of 2-Butoxyethyl laurate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 2-Butoxyethyl laurate.
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InChI (IUPAC International Chemical Identifier) information of 2-Butoxyethyl laurate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2-Butoxyethyl laurate is:
InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3
It can provide a standard way to encode the molecular information of 2-Butoxyethyl laurate 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 2-Butoxyethyl laurate is:
InChIKey=QJENVPXXRBETHA-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 2-Butoxyethyl laurate, but it needs to be linked to the full InChI to get back to the original structure of the 2-Butoxyethyl laurate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-Butoxyethyl laurate
The 2-Butoxyethyl laurate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2-Butoxyethyl laurate including the registry numbers is given below, if available:
- AR-1I6914
- Lauric acid, 2-butoxyethyl ester (8CI)
- Dodecanoic acid,2-butoxyethyl ester
- Dodecanoic acid 2-butoxyethyl ester
- 2-Butoxyethyl laurate #
- Lauric acid, 2-butoxyethyl ester
- 109-37-5
- Ethylene glycol monobutyl ether laurate
- 2-Butoxyethyl laurate
- Dodecanoic acid, 2-butoxyethyl ester
2-Butoxyethyl laurate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 2-Butoxyethyl laurate? |
|---|
| C18H36O3 |
| How many atoms and what are they in the 2-Butoxyethyl laurate structure? |
| 57 atom(s) - 36 Hydrogen atom(s), 18 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what are they in the 2-Butoxyethyl laurate structure? |
| 56 bond(s) - 20 non-H bond(s), 1 multiple bond(s), 17 rotatable bond(s), 1 double bond(s), 1 ester(s) (aliphatic), and 1 ether(s) (aliphatic) |
| What’s the molecular weight of 2-Butoxyethyl laurate? |
| 300.47664 g/mol |
| What’s the SMILES string of 2-Butoxyethyl laurate? |
| CCCCCCCCCCCC(=O)OCCOCCCC |
| What’s the InChI of 2-Butoxyethyl laurate? |
| InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3 |
| What’s the InChIKey of 2-Butoxyethyl laurate? |
| QJENVPXXRBETHA-UHFFFAOYSA-N |
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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).