Back to Search
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
Names and Synonyms:
Bis(2-Methoxyethyl) Phthalate
1,2-Benzenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester
Phthalic acid, bis(2-methoxyethyl) ester
1,2-Benzenedicarboxylic acid, bis(2-methoxyethyl) ester
Ethanol, 2-methoxy-, phthalate (2:1)
Bis(methoxyethyl) phthalate
Kesscoflex MCP
Methyl glycol phthalate
Bis(2-methoxyethyl) phthalate
2-Methoxyethyl phthalate
Dimethyl glycol phthalate
NSC 2147
KC 988
Bis(2-methoxyethyl)ester 1,2-benzenedicarboxylic acid
Di(2-methoxyethyl) phthalate
Identifiers:
SMILES:
COCCOC(=O)c1ccccc1C(=O)OCCOC
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
Key Properties
Boiling Point
340 °C
CAS Common Chemistry
Melting Point
-45 °C
CAS Common Chemistry
Density
1 x 10-6 g/cm3 @ Temp: 20 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.29 g/mol | CAS Common Chemistry |
| 282.292 g/mol | RDKit | |
| 282.110338296 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 |
| Density | 1 x 10-6 g/cm3 @ Temp: 20 °C | 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 |
| Molar Refractivity | 70.75900000000004 | RDKit |
