Back to Search
Bis(2-Ethylhexyl) Adipate
CAS: 103-23-1 | C22H42O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-23-1
Molecular Formula:
C22H42O4
Molecular Weight:
370.5740000000002 g/mol
Names and Synonyms:
Bis(2-Ethylhexyl) Adipate
Plasthall DOA
Diacizer DOA
Adimoll DO
Arlamol DOA
USS 700
K 3220
Dermol DOA
Vistone A 10
SP 100
SP 100 (solvent)
NSC 56775
Adipic acid diester with 2-ethylhexanol
Plastimoll DOA
Dub Doa
Oxsoft DOA
Monocizer DOA
Cereplast DOA
Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester
Adipic acid, bis(2-ethylhexyl) ester
Hexanedioic acid, bis(2-ethylhexyl) ester
Adipol 2EH
Bis(2-ethylhexyl) adipate
Bisoflex DOA
DOA
Monoplex DOA
Truflex DOA
Plastomoll DOA
Dioctyl adipate
Octyl adipate
Sicol 250
Di(2-ethylhexyl) adipate
Flexol A 26
Witamol 320
Effomoll DOA
Vestinol OA
Kodaflex DOA
Wickenol 158
Ergoplast AdDO
Diethylhexyl adipate
Lankroflex DOA
Effomoll DA
Sansocizer DOA
Reomol DOA
Jayflex DOA 2
Hatcol 2908
ADO
ADO (lubricating oil)
Crodamol DOA
Identifiers:
SMILES:
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChI:
InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 370.5740000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 370.308309824 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 17 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.066000000000007 | RDKit |
| molecular_mass | 370.57 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_adipate None | Legacy Database |
| cas-boiling-point | 214 °C @ Press: 5 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCC(CC)CCCC)CCCCC(=O)OCC(CC)CCCC None | Legacy Database |
| cas-density | 0.922 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SAOKZLXYCUGLFA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -67.8 °C None | Legacy Database |
| cas-name | Bis(2-ethylhexyl) adipate None | Legacy Database |
| wikipedia-name | Bis(2-ethylhexyl) adipate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 106.99800000000009 | RDKit |
