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Molecule
Ethylene Oxide-Formaldehyde-4-(1,1,3,3-Tetramethylbutyl)Phenol Copolymer
CAS: 25301-02-4 · C17H28O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25301-02-4
- Molecular Formula
- C17H28O3
- Molecular Mass
- 280.41 g/mol
Identifiers
CAS Registry Number
25301-02-4
SMILES
C1CO1.C=O.CC(C)(C)CC(C)(C)c1ccc(O)cc1
InChI Key
MDYZKJNTKZIUSK-UHFFFAOYSA-N
InChI
InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2
Names and Synonyms
- Ethylene Oxide-Formaldehyde-4-(1,1,3,3-Tetramethylbutyl)Phenol Copolymer Systematic Name
- Formaldehyde, polymer with oxirane and 4-(1,1,3,3-tetramethylbutyl)phenol Synonym
- Phenol, p-(1,1,3,3-tetramethylbutyl)-, polymer with ethylene oxide and formaldehyde Synonym
- Ethylene oxide, polymer with formaldehyde and p-(1,1,3,3-tetramethylbutyl)phenol Synonym
- Oxirane, polymer with formaldehyde and 4-(1,1,3,3-tetramethylbutyl)phenol Synonym
- Phenol, 4-(1,1,3,3-tetramethylbutyl)-, polymer with formaldehyde and oxirane Synonym
- Triton WR 1339 Synonym
- Tyloxapol Synonym
- Alevaire Synonym
- Oxyethylated tertiary octyl-phenol-formaldehyde polymer Synonym
- Superinone Synonym
- Triton A 20 Synonym
- p-Isooctylpolyoxyethylenephenol formaldehyde polymer Synonym
- Ethylene oxide-formaldehyde-p-octylphenol copolymer Synonym
- NSC 90255 Synonym
- Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.41 g/mol | CAS Common Chemistry |
| 280.40799999999996 g/mol | RDKit | |
| 280.408 g/mol | RDKit | |
| Canonical SMILES | O=C.OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C.O1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MDYZKJNTKZIUSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.83 Ų | RDKit |
| 46.53 Ų | chempirical lib | |
| LogP | 3.937700000000003 | RDKit |
| 3.9377 | RDKit | |
| Molar Refractivity | 83.14480000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 280.203844756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 280.41 g/mol. Edit any field — others recompute live.
