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| CAS No.: | 19125-76-9 |
|---|---|
| Name: | 3-DIMETHYLAMINO-2-METHYL-2-PROPENAL |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H11NO |
| Molecular Weight: | 113.159 |
| Synonyms: | Acrolein,3-(dimethylamino)-2-methyl- (6CI,7CI,8CI);2-Methyl-3-dimethylaminoacrolein;3-(Dimethylamino)-2-methyl-2-propenal;3-(Dimethylamino)-2-methylpropenal; |
| Density: | 0.901 g/cm3 |
| Melting Point: | 34-38 °C |
| Boiling Point: | 299.5 °C at 760 mmHg |
| Flash Point: | 124.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 20.31000 |
| LogP: | 0.65070 |
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Specification
The 2-Propenal,3-(dimethylamino)-2-methyl-, with the CAS registry number 19125-76-9, is also known as 3-(Dimethylamino)-2-methylpropenal. It belongs to the product categories of Aldehydes; C1 to C6; Carbonyl Compounds. This chemical's molecular formula is C6H11NO and molecular weight is 113.16. What's more, its systematic name and its IUPAC name are the same which is called 3-(Dimethylamino)-2-methylprop-2-enal.
Physical properties about 2-Propenal,3-(dimethylamino)-2-methyl-: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.03; (7)ACD/KOC (pH 5.5): 15.86; (8)ACD/KOC (pH 7.4): 75.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 33.65 cm3; (15)Molar Volume: 125.5 cm3; (16)Surface Tension: 27.9 dyne/cm; (17)Density: 0.901 g/cm3; (18)Flash Point: 124.6 °C; (19)Enthalpy of Vaporization: 53.95 kJ/mol; (20)Boiling Point: 299.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00119 mmHg at 25 °C; (22)Melting point: 34-38 °C.
Uses of 2-Propenal,3-(dimethylamino)-2-methyl-: it is used to produce other chemicals. For example, it is used to produce Methylmalondialdehyd-natriumsalz.
The reaction occurs with reagent NaOH acid and solvent H2O at temperature of 70 °C. The yield is 62 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(=CN(C)C)C
(2) InChI: InChI=1/C6H11NO/c1-6(5-8)4-7(2)3/h4-5H,1-3H3
(3) InChIKey: JGAMOQYFDMQPRJ-UHFFFAOYAT