Tris(dimethylaminomethyl)phenol CAS#: 90-72-2; ChemWhat Code: 1290366
Identification
| Product Name | Tris(dimethylaminomethyl)phenol |
| IUPAC Name | 2,4,6-tris[(dimethylamino)methyl]phenol |
| Molecular Structure |  |
| CAS Registry Number | 90-72-2 |
| EINECS Number | 202-013-9 |
| MDL Number | MFCD00008330 |
| Beilstein Registry Number | 795751 |
| Synonyms | 2,4,6-Tris-N,N-dimethylaminomethylfenol;2,4,6-Tris-N,N;dimethylaminomethylfenol [Czech] 26444-72-4 [RN];4-13-00-01946 (Beilstein Handbook Reference) [Beilstein] ;Mesitol, α(sup 2),α(sup 4),α(sup 6)-tris(dimethylamino)- (6CI);Mesitol, α,α’,α”-tris (dimethylamino)-;Mesitol, α,α’,α”-tris(dimethylamino)-;Mesitol, α,α’,α”-tris(dimethylamino)- (7CI,8CI);Mesitol, α2,α4,α6-tris(dimethylamino)-;Mesitol, α2,α4,α6-tris(dimethylamino)- ;Phenol, 2,4,6-tris((dimethylamino)methyl)- |
| Molecular Formula | [(CH3)2NCH2]3C6H2OH |
| Molecular Weight | 265.39 |
| InChI | InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3 |
| InChI Key | AHDSRXYHVZECER-UHFFFAOYSA-N |
| Canonical SMILES | CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US4283343 | Process for producing liquid dibasic acid anhydrides | 1981 |
Physical Data
| Appearance | Colorless or light yellow transparent liquid |
| Solubility | No data available |
| Flash Point | >230 °F |
| Refractive index | n20/D 1.516(lit.) |
| Sensitivity | No data available |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 144 – 146 | 3 |
| 130 – 135 | 1 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.973 | 4 | 30 |
| 0.974 | 15 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.5144 | 589 | 20 |
| 1.5174 | 589 | 20 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Partner (Association (MCS)) |
| NMR spectrum of the complex | toluene | BaI2 |
| Further physical properties of the complex | toluene | BaI2 |
| Dynamic Viscosity, P | Temperature (Dynamic Viscosity), °C |
| 1.5 | 30 |
| 0.4 | 50 |
| Description (Electrical Moment) | Moment (Electrical Moment), D | Temperature (Electrical Moment), °C | Method (Electrical Moment) | Solvent (Electrical Moment) | Comment (Electrical Moment) |
| Dipole moment | 2.6D (ε, Benzol) | ||||
| Dipole moment | 3.3 | 30 | Dielectric constant (ε) | toluene | |
| Dipole moment | 3.5 | 90 | Dielectric constant (ε) | toluene |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Comment (NMR Spectroscopy) |
| Chemical shifts | 1H | benzene-d6 | 300 | |
| Chemical shifts | 13C | benzene-d6 | ||
| Chemical shifts | 1H | CDCl3 | 60 | |
| Chemical shifts | 1H | CD3CN | ||
| Spin-spin coupling constants | CD3CN | 1H-1H. |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C |
| Intensity of IR bands, Bands, Spectrum | potassium bromide | |
| Bands | film |
| Description (Raman Spectroscopy) | Solvent (Raman Spectroscopy) | Comment (Raman Spectroscopy) |
| Bands, Spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| In water for 2.5h; | 80% |
| In water at 25 – 100℃; for 3h; Mannich reaction; | 80% |
| With water |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302: Harmful if swallowed [Warning Acute toxicity, oral] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Class 8; Packaging Group: II; UN Number: 2735 |
| Under the room temperature and away from light | |
| HS Code | 292229 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Use Pattern |
| Tris(dimethylaminomethyl)phenol CAS#: 90-72-2 used as curing accelerator |
| Tris(dimethylaminomethyl)phenol CAS#: 90-72-2 used as Catalyst for preparation of epoxy compounds |
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| Warshel Chemical Ltd | http://www.warshel.com/ |
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