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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 Mass:
370.57 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
Key Properties
Boiling Point
214 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
-67.8 °C
CAS Common Chemistry
Density
0.92 g/cm³
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 | 370.57 g/mol | CAS Common Chemistry |
| 370.5740000000002 g/mol | RDKit | |
| 370.308309824 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.922 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_adipate | CAS Common Chemistry |
| Boiling Point | 214 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)CCCCC(=O)OCC(CC)CCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=SAOKZLXYCUGLFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -67.8 °C | CAS Common Chemistry |
| Name | Bis(2-ethylhexyl) adipate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| LogP | 6.066000000000007 | RDKit |
| Molar Refractivity | 106.99800000000009 | RDKit |
