Basic information
- Name:
2-Propenal,3-(dimethylamino)-
- Superlist Name:
- 3-Dimethylaminoacrolein
- CAS No.:
927-63-9
- Molecular Structure:
- Formula:
- C5H9NO
- Molecular Weight:
- 99.13
- Synonyms:
- 3-(Dimethylamino)-2-propenal;Acrolein,3-(dimethylamino)- (6CI,7CI,8CI);3-(Dimethylamino)acrylaldehyde;3-(Dimethylamino)propenal;4-Dimethylamino-2-propen-1-al;β-(Dimethylamino)acrolein;(2E)-3-(dimethylamino)prop-2-enal;2-Propenal, 3-(dimethylamino)-;3-(Dimethylamino)-2-propenal;
- EINECS:
- 213-157-7
- Density:
- 0.907 /cm3
- Boiling Point:
- 271.5 °C at 760 mmHg
- Flash Point:
- 128.9 °C
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 3267 8/PG 2
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Specification
The 3-Dimethylaminoacrolein, with the CAS registry number 927-63-9 and EINECS registry number 213-157-7, has the IUPAC name of (E)-3-(dimethylamino)prop-2-enal. It belongs to the following product categories: C1 to C6; Aldehydes; Carbonyl Compounds. And the molecular formula of the chemical is C5H9NO. What's more, it should be stored at 2-8°C.
The physical properties of 3-Dimethylaminoacrolein are as followings: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 13.21; (8)ACD/KOC (pH 7.4): 38.94; (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: 1.446; (14)Molar Refractivity: 29.17 cm3; (15)Molar Volume: 109.2 cm3; (16)Polarizability: 11.56×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 128.9 °C; (20)nthalpy of Vaporization: 50.97 kJ/mol; (21)Boiling Point: 271.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00643 mmHg at 25°C.
Uses of 3-Dimethylaminoacrolein: It can react with 2-hydroxymethyl-phenol to produce 4H-chromene-3-carbaldehyde. This reaction will need reagent acetic anhydride, and the menstruum acetic acid. The reaction time is 2 hours with heating, and the yield is about 40%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\N(C)C
(2)InChI: InChI=1/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+
(3)InChIKey: RRLMPLDPCKRASL-ONEGZZNKBT
