2-Butenal, (2E)-

The 2-Butenal, (2E)-, with the CAS registry number 123-73-9 and EINECS registry number 204-647-1, has the systematic name of (2E)-but-2-enal. It is a kind of clear liquid, and belongs to the following product categories: Pharmaceutical Intermediates; Aldehydes; C1 to C6; Carbonyl Compounds. The molecular formula of the chemical is C₄H₆O. What's more, it is always used as a chemical intermediate in a variety of industrial processes (surfactants, textiles, paper, fuels, insecticides, leather tanning, etc.).

The physical properties of 2-Butenal, (2E)- are as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.3; (8)ACD/KOC (pH 7.4): 45.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Ų; (13)Index of Refraction: 1.402; (14)Molar Refractivity: 20.82 cm³; (15)Molar Volume: 85.4 cm³; (16)Polarizability: 8.25×10^-24cm³; (17)Surface Tension: 23 dyne/cm; (18)Density: 0.819 g/cm³; (19)Flash Point: 4.6 °C; (20)Enthalpy of Vaporization: 34.31 kJ/mol; (21)Boiling Point: 104 °C at 760 mmHg; (22)Vapour Pressure: 31.4 mmHg at 25°C.  

Preparation and uses of 2-Butenal, (2E)-: This chemical can be prepared by acetaldehyde. First, acetaldehyde becomes aldol by catalyzing with anion exchange resin or alkali. Then, after dehydration-condensation reaction with the catylyst diluted acid and heating, you can get the product. Wha's more, it is a kind of synthetic organic materials, and always used to produce butyraldehyde, butanol and so on.

You should be cautious while dealing with this chemical. It is a kind of highly flammble chemical, and toxic in contact with skin and if swallowed. It also irritates to respiratory system and skin, and has risk of serious damage to eyes and aquatic organisms. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C=C/C
(2)InChI: InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
(3)InChIKey: MLUCVPSAIODCQM-NSCUHMNNBQ

The toxicity data is as follows: