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
Synonym
Plasthall DOA
Synonym
Diacizer DOA
Synonym
Adimoll DO
Synonym
Arlamol DOA
Synonym
USS 700
Synonym
K 3220
Synonym
Dermol DOA
Synonym
Vistone A 10
Synonym
SP 100
Synonym
SP 100 (solvent)
Synonym
NSC 56775
Synonym
Adipic acid diester with 2-ethylhexanol
Synonym
Plastimoll DOA
Synonym
Dub Doa
Synonym
Oxsoft DOA
Synonym
Monocizer DOA
Synonym
Cereplast DOA
Synonym
Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester
Synonym
Adipic acid, bis(2-ethylhexyl) ester
Synonym
Hexanedioic acid, bis(2-ethylhexyl) ester
Synonym
Adipol 2EH
Synonym
Bis(2-ethylhexyl) adipate
Synonym
Bisoflex DOA
Synonym
DOA
Synonym
Monoplex DOA
Synonym
Truflex DOA
Synonym
Plastomoll DOA
Synonym
Dioctyl adipate
Synonym
Octyl adipate
Synonym
Sicol 250
Synonym
Di(2-ethylhexyl) adipate
Synonym
Flexol A 26
Synonym
Witamol 320
Synonym
Effomoll DOA
Synonym
Vestinol OA
Synonym
Kodaflex DOA
Synonym
Wickenol 158
Synonym
Ergoplast AdDO
Synonym
Diethylhexyl adipate
Synonym
Lankroflex DOA
Synonym
Effomoll DA
Synonym
Sansocizer DOA
Synonym
Reomol DOA
Synonym
Jayflex DOA 2
Synonym
Hatcol 2908
Synonym
ADO
Synonym
ADO (lubricating oil)
Synonym
Crodamol DOA
Synonym
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 |