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Molecule
12H-Dibenzo[D,G][1,3,2]Dioxaphosphocin, 2,4,8,10-Tetrakis(1,1-Dimethylethyl)-6-Hydroxy-, 6-Oxide, Sodium Salt (1:1)
CAS: 85209-91-2 · C29H43NaO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85209-91-2
- Molecular Formula
- C29H43NaO4P
- Molecular Mass
- 509.62 g/mol
Identifiers
CAS Registry Number
85209-91-2
SMILES
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)(O)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)C2.[Na]
InChI Key
MAZWCKFAMIYKKP-UHFFFAOYSA-N
InChI
InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);
Names and Synonyms
- 12H-Dibenzo[D,G][1,3,2]Dioxaphosphocin, 2,4,8,10-Tetrakis(1,1-Dimethylethyl)-6-Hydroxy-, 6-Oxide, Sodium Salt (1:1) Systematic Name
- 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt (1:1) Synonym
- 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt Synonym
- Sodium 2,2′-methylenebis(4,6-di-tert-butylphenyl) phosphate Synonym
- Mark NA 11 Synonym
- NA 11 Synonym
- Mark NA 11UF Synonym
- ADK Stab NA 11 Synonym
- ADK Stab NA 11UY Synonym
- NA 11UF Synonym
- 2,2′-Methylenebis(4,6-di-tert-butylphenol) phosphate sodium salt Synonym
- NA 11UY Synonym
- ADK Stab NA 11SF Synonym
- ADK Stab NA 11UH Synonym
- NA 11UH Synonym
- NA 40 Synonym
- NA 40 (nucleating agent) Synonym
- Amfine NA 11 Synonym
- ADK Stab NA 11UF Synonym
- ADK 11 Synonym
- NA 11SF Synonym
- Irgastab NA 11 Synonym
- Clearlite NU 011 Synonym
- Eustab NA 11 Synonym
- NP 508 Synonym
- TMP 1 (nucleating agent) Synonym
- TMP 1 Synonym
- ADK Stab NA 27 Synonym
- 2,2′-Methylenebis(4,6-di-tert-butylphenyl)phosphate sodium salt Synonym
- NA 11A Synonym
- Adeka NA 11 Synonym
- ADK Stab M 701 Synonym
- 2,4,8,10-Tetra(tert-butyl)-6-hydroxy-12H-dibenzo[d,g][1,3,2]dioxaphosphocin 6-oxide sodium salt Synonym
- NA 27 Synonym
- NP 58 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 509.62 g/mol | CAS Common Chemistry |
| 509.62300000000033 g/mol | RDKit | |
| 509.623 g/mol | RDKit | |
| 510.631 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P1(O)OC=2C(=CC(=CC2C(C)(C)C)C(C)(C)C)CC3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31); | CAS Common Chemistry |
| InChI Key | InChIKey=MAZWCKFAMIYKKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| 55.76 Ų | RDKit | |
| LogP | 7.95820000000001 | RDKit |
| 7.9582 | RDKit | |
| 8.06 | chempirical lib | |
| Molar Refractivity | 147.32529999999983 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5862 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 509.279665766 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 509.62 g/mol. Edit any field — others recompute live.
