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Molecule
Bis(2-Ethylhexyl) Adipate
CAS: 103-23-1 · C22H42O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103-23-1
- Molecular Formula
- C22H42O4
- Molecular Mass
- 370.57 g/mol
Identifiers
CAS Registry Number
103-23-1
SMILES
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChI Key
SAOKZLXYCUGLFA-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.57 g/mol | CAS Common Chemistry |
| 370.5740000000002 g/mol | RDKit | |
| 370.574 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.922 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_adipate | 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 |
| 52.6 Ų | RDKit | |
| LogP | 6.066000000000007 | RDKit |
| 6.066 | RDKit | |
| Molar Refractivity | 106.99800000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 370.308309824 g/mol | RDKit |
| Boiling Point | 214 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 370.57 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H42O4.
