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Ethylene Oxide-Formaldehyde-4-(1,1,3,3-Tetramethylbutyl)Phenol Copolymer
CAS: 25301-02-4 | C17H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25301-02-4
Molecular Formula:
C17H28O3
Molecular Mass:
280.41 g/mol
Names and Synonyms:
Ethylene Oxide-Formaldehyde-4-(1,1,3,3-Tetramethylbutyl)Phenol Copolymer
Formaldehyde, polymer with oxirane and 4-(1,1,3,3-tetramethylbutyl)phenol
Phenol, p-(1,1,3,3-tetramethylbutyl)-, polymer with ethylene oxide and formaldehyde
Ethylene oxide, polymer with formaldehyde and p-(1,1,3,3-tetramethylbutyl)phenol
Oxirane, polymer with formaldehyde and 4-(1,1,3,3-tetramethylbutyl)phenol
Phenol, 4-(1,1,3,3-tetramethylbutyl)-, polymer with formaldehyde and oxirane
Triton WR 1339
Tyloxapol
Alevaire
Oxyethylated tertiary octyl-phenol-formaldehyde polymer
Superinone
Triton A 20
p-Isooctylpolyoxyethylenephenol formaldehyde polymer
Ethylene oxide-formaldehyde-p-octylphenol copolymer
NSC 90255
Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer
Identifiers:
SMILES:
C1CO1.C=O.CC(C)(C)CC(C)(C)c1ccc(O)cc1
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
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 | 280.41 g/mol | CAS Common Chemistry |
| 280.40799999999996 g/mol | RDKit | |
| 280.203844756 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 |
| LogP | 3.937700000000003 | RDKit |
| Molar Refractivity | 83.14480000000006 | RDKit |
