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Molecule
Bis(2-Methoxyethyl) Phthalate
CAS: 117-82-8 · C14H18O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 117-82-8
- Molecular Formula
- C14H18O6
- Molecular Mass
- 282.29 g/mol
Identifiers
CAS Registry Number
117-82-8
SMILES
COCCOC(=O)c1ccccc1C(=O)OCCOC
InChI Key
HSUIVCLOAAJSRE-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
Names and Synonyms
- Bis(2-Methoxyethyl) Phthalate Common Name
- 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester Synonym
- Phthalic acid, bis(2-methoxyethyl) ester Synonym
- 1,2-Benzenedicarboxylic acid, bis(2-methoxyethyl) ester Synonym
- Ethanol, 2-methoxy-, phthalate (2:1) Synonym
- Bis(methoxyethyl) phthalate Synonym
- Kesscoflex MCP Synonym
- Methyl glycol phthalate Synonym
- Bis(2-methoxyethyl) phthalate Synonym
- 2-Methoxyethyl phthalate Synonym
- Dimethyl glycol phthalate Synonym
- NSC 2147 Synonym
- KC 988 Synonym
- Bis(2-methoxyethyl)ester 1,2-benzenedicarboxylic acid Synonym
- Di(2-methoxyethyl) phthalate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.29 g/mol | CAS Common Chemistry |
| 282.292 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-methoxyethyl)_phthalate | CAS Common Chemistry |
| Boiling Point | 340 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOC)C=1C=CC=CC1C(=O)OCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSUIVCLOAAJSRE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -45 °C | CAS Common Chemistry |
| Name | Bis(2-methoxyethyl) phthalate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 1.2930000000000001 | RDKit |
| 1.293 | RDKit | |
| Molar Refractivity | 70.75900000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 282.110338296 g/mol | RDKit |
| Density | 1 x 10-6 g/cm3 @ 20 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 282.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H18O6.
