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CAS No.: | 78-85-3 |
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Name: | 2-Methylacrolein |
Article Data: | 266 |
Molecular Structure: | |
Formula: | C4H6O |
Molecular Weight: | 70.091 |
Synonyms: | Methacrylaldehyde(8CI);2-Formyl-1-propene;2-Methacrolein;2-Methyl-2-propen-1-al;2-Methyl-2-propenal;2-Methylacrolein;2-Methylenepropanal;2-Methylpropenal;Isobutenal;Methacrylic aldehyde;NSC 8260;a-Methylacrolein;a-Methylacrylaldehyde; |
EINECS: | 201-150-1 |
Density: | 0.807 g/cm3 |
Melting Point: | -81 °C |
Boiling Point: | 68 °C at 760 mmHg |
Flash Point: | -15 °C |
Solubility: | Water: 6 g/100 mL (20 °C) |
Appearance: | Colourless to light yellow liquid |
Hazard Symbols: | F,T |
Risk Codes: | 11-24/25-34-26 |
Safety: | 16-26-36/37/39-45-28A |
Transport Information: | UN 2396 3/PG 2 |
PSA: | 17.07000 |
LogP: | 0.76140 |
Conditions | Yield |
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With acetic acid; dimethyl amine at 170 - 180℃; under 52505.3 Torr; for 0.00277778h; Flow reactor; | 98.1% |
With secondary amine salt In water at 15 - 44℃; for 1h; | 96.6% |
With L-proline In water at 42.84℃; for 0.5h; Kinetics; Mechanism; Reagent/catalyst; Temperature; Green chemistry; | 91.1% |
Conditions | Yield |
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With aluminum oxide; pyridinium chlorochromate In hexane for 0.2h; Ambient temperature; | 98% |
With manganese(IV) oxide In diethyl ether Oxidation; | 76% |
at 500℃; beim Leiten ueber Messing; |
Conditions | Yield |
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With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h; | 94% |
Conditions | Yield |
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With oxygen In water at 350℃; under 750.075 Torr; | 91.1% |
With air; cobalt molybdenum at 319.9 - 379.9℃; Rate constant; Product distribution; | 88.1% |
With silicsa-alumina supported Mo12Bi1.7Fe2.0Co6.75Ni1.0Cs0.2Ox In water at 345℃; for 200h; Temperature; Inert atmosphere; | 81.07% |
Conditions | Yield |
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With water; iodine In 1,4-dioxane for 24h; Reflux; | 91% |
Conditions | Yield |
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With oxygen; Bi-Mo oxide (1/1) at 400℃; Rate constant; Kinetics; also without O2; other temperature; | 90% |
With oxygen; Mo-Bi-Fe-Co-Ni-K based mixed metal oxide In water at 340 - 360℃; under 760.051 Torr; for 100h; | 89.9% |
With Mo12Bi0.5Fe2.4Co7.2Zn1.1Sb0.7Si7W0.3K0.5O(x); water; oxygen at 340℃; for 0.001h; Sealed tube; Inert atmosphere; | 88.8% |
Conditions | Yield |
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With nitrogen; Mo12Co5.7Fe3.8Bi0.5Ce0.1Tl0.3Sb0.5O49.1; water; oxygen at 380℃; for 10005h; Reagent/catalyst; | A 65% B 89% |
Conditions | Yield |
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With air; pelleted Fe-Te-Mo-O at 430℃; Yields of byproduct given; | A 83.8% B n/a C n/a |
With air; pelleted Fe-Te-Mo-O at 430℃; Product distribution; further temperatures: 370, 400 deg C; effect of various catalyst supports investigated; | A 83.8% B n/a C n/a |
With oxygen multicomponent oxide catalyst(Co, Mo, Bi, Sb, Fe, K); |
Conditions | Yield |
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With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; 3-amino propanoic acid In acetonitrile at 60℃; for 24h; Sealed tube; | 82% |
With oxygen; C4H8N3O2Pb(1+)*CF3O3S(1-) In various solvent(s) under 760 Torr; Ambient temperature; Yield given; | |
at 400℃; Dehydrierung an einem Cu-Cr-Zn-Cd-Oxydkatalysator; |
Conditions | Yield |
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With oxygen; silica-alumina In water at 355℃; Product distribution / selectivity; | A 78.4% B 1.9% C 1.1% |
With oxygen; silica-alumina In water at 355℃; Product distribution / selectivity; | A 78.1% B 2.2% C 1% |
With oxygen; 5% Pd/zirconia In water at 130℃; under 36003.6 Torr; Product distribution / selectivity; autoclave; | |
With oxygen; palladium on silica gel In water at 130℃; under 36003.6 Torr; Product distribution / selectivity; autoclave; |
Reported in EPA TSCA Inventory.
DOT Classification: 3; Label: Flammable Liquid, Poison
The Methylacrylaldehyde with CAS registry number of 78-85-3 is also known as 2-Methyl-2-propen-1-al. The IUPAC name is 2-Methylprop-2-enal. Its EINECS registry number is 201-150-1. In addition, the formula is C4H6O and the molecular weight is 70.09. This chemical is a colourless to light yellow liquid and should be sealed in dry and cool place.
Physical properties about Methylacrylaldehyde are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.52; (5)ACD/BCF (pH 7.4): 1.52; (6)ACD/KOC (pH 5.5): 46.99; (7)ACD/KOC (pH 7.4): 46.99; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.384; (11)Molar Refractivity: 20.33 cm3; (12)Molar Volume: 86.7 cm3; (13)Surface Tension: 20.8 dyne/cm; (14)Density: 0.807 g/cm3; (15)Enthalpy of Vaporization: 30.98 kJ/mol; (16)Boiling Point: 68 °C at 760 mmHg; (17)Vapour Pressure: 142 mmHg at 25 °C.
Preparation of Methylacrylaldehyde: it is prepared by reaction of at least one of isobutylene and tert-butyl alcohol. The gas containing molecular oxygen is oxidated in presence of oxidation catalyst Mo12BiaCebKcFedAeBfOg.
Uses of Methylacrylaldehyde: it is used for the manufacture of copolymers and resins, and also is the raw material of methylmalonic acid and thermoplastic fuel. It is used to produce 2,3-dibromo-2-methyl-propionaldehyde. The reaction occurs with reagent bromine at 50 °C for 2 hours. The yield is about 60%.
When you are using this chemical, please be cautious about it. As a chemical, it is toxic in contact with skin and if swallowed and very toxic by inhalation. What's more, it is highly flammable that can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition. If accident happens or you feel unwell seek medical advice immediately. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=C)C=O
2. InChI: InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
3. InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 430uL/kg (0.43mL/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
rat | LCLo | inhalation | 125ppm/4H (125ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
rat | LD50 | oral | 140mg/kg (140mg/kg) | Union Carbide Data Sheet. Vol. 7/21/1965, |