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| CAS No.: | 18503-89-4 |
|---|---|
| Name: | 1,1-Diisopropoxytrimethylamine |
| Molecular Structure: | |
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| Formula: | C9H21NO2 |
| Molecular Weight: | 175.271 |
| Synonyms: | Trimethylamine,1,1-diisopropoxy- (7CI,8CI);DMF diisopropyl acetal;Dimethylformamidediisopropyl acetal;N,N-Dimethylformamide diisopropyl acetal; |
| EINECS: | 242-386-5 |
| Density: | 0.884 g/cm3 |
| Boiling Point: | 152.939 °C at 760 mmHg |
| Flash Point: | 23.333 °C |
| Appearance: | colorless transparent liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-10 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 |
| PSA: | 21.70000 |
| LogP: | 1.68160 |
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Specification
The IUPAC name of 1,1-Diisopropoxytrimethylamine is N,N-dimethyl-1,1-Di(propan-2-yloxy)methanamine. With the CAS registry number 18503-89-4, it is also named as N,N,N-Trimethyl-1,1-bis(1-methylethoxy)amine. Besides, it is colorless transparent liquid, which should be stored in closed, cool and dry place. In addition, its molecular formula is C9H21NO2 and molecular weight is 175.27.
The other characteristics of this product can be summarized as: (1)EINECS: 242-386-5; (2)ACD/LogP: 2.50; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.22; (5)ACD/LogD (pH 7.4): 2.5; (6)ACD/BCF (pH 5.5): 24.31; (7)ACD/BCF (pH 7.4): 46.57; (8)ACD/KOC (pH 5.5): 283; (9)ACD/KOC (pH 7.4): 542.24; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 5; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 50.83 cm3; (15)Molar Volume: 198.2 cm3; (16)Surface Tension: 25.9 dyne/cm; (17)Density: 0.884 g/cm3; (18)Flash Point: 23.3 °C; (19)Enthalpy of Vaporization: 38.97 kJ/mol; (20)Boiling Point: 152.9 °C at 760 mmHg; (21)Vapour Pressure: 3.41 mmHg at 25 °C.
Uses of 1,1-Diisopropoxytrimethylamine: it can react with 1-(2-Hydroxy-6-methoxy-4-methyl-phenyl)-ethanone to get 1-(3-Dimethylamino-acryloyl)-2-hydroxy-4-methyl-6-methoxy-benzol.
This reaction needs Xylene. The yield is 63 %.
When you are using this chemical, please be cautious about it as the following: it is flammable. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:O(C(C)C)C(OC(C)C)N(C)C
(2)InChI:InChI=1/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
(3)InChIKey:XOZZATXWQMOVHL-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
(5)Std. InChIKey:XOZZATXWQMOVHL-UHFFFAOYSA-N