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Name |
Butyl methacrylate |
EINECS | 202-615-1 |
CAS No. | 97-88-1 | Density | 0.894 g/cm3 |
PSA | 26.30000 | LogP | 1.90580 |
Solubility | water: 3 g/L (20 °C) | Melting Point |
-75 °C |
Formula | C8H14O2 | Boiling Point | 160 °C at 760 mmHg |
Molecular Weight | 142.198 | Flash Point | 50.6 °C |
Transport Information | UN 2227 3/PG 3 | Appearance | clear colourless liquid with an ester-like odour |
Safety | 16-36/37/39 | Risk Codes | 10-36/37/38-43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methacrylicacid, butyl ester (6CI,8CI);2-Methyl-2-propenoic acid butyl ester;AcryesterB;Blemmer BMA;Butyl 2-methyl-2-propenoate;Butyl 2-methylacrylate;Butylmethacrylate;Light Ester NB;N 212;NSC 20956;n-Butyl methacrylate;n-Batyl methacrylate; |
Article Data | 56 |
The IUPAC name of 2-Methyl butylacrylate is butyl 2-methylprop-2-enoate. With the CAS registry number 97-88-1, it is also named as 2-Propenoic acid, 2-methyl-, butyl ester. The product's categories are Industrial / Fine Chemicals; Acrylic Monomers; C8 to C9 Monomers; Carbonyl Compounds; Esters; Methacrylate. It is clear colourless liquid with an ester-like odour which is stable (though if no stabilizers are present, it may polymerize; typically stabilized through the addition of HQME) and incompatible with strong reducing agents, strong oxidizing agents. And it is also reactive to water at high or low pH. When heated to decomposition it emits acrid smoke and irritating fumes. Additioanlly, this chemical should be sealed in the container and stored in the ventilate, cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 100.95; (6)ACD/BCF (pH 7.4): 100.95; (7)ACD/KOC (pH 5.5): 946.57; (8)ACD/KOC (pH 7.4): 946.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.422; (13)Molar Refractivity: 40.45 cm3; (14)Molar Volume: 158.9 cm3; (15)Polarizability: 16.03×10-24 cm3; (16)Surface Tension: 26.4 dyne/cm; (17)Enthalpy of Vaporization: 39.66 kJ/mol; (18)Vapour Pressure: 2.44 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 142.09938; (21)MonoIsotopic Mass: 142.09938; (22)Topological Polar Surface Area: 26.3; (23)Heavy Atom Count: 10; (24)Complexity: 127.
Preparation of 2-Methyl butylacrylate: It can be obtained by the esterification of methacrylic acid and n-butyl alcohol in the presence of sulfuric acid. After salting out and rectification, we can get the end product.
CH2=C(CH3)COOH+C4H9OHthis product +H2O
Uses OF 2-Methyl butylacrylate: It is used as monomer of polymer and as paint solvent. It is also used to produce modified organic glass, transparent film, finishing agent and lustering agent of paper, fabric and leather. In addition, this chemical can react with trifluoroacetic acid to get 4,4,4-trifluoro-2-hydroxy-2-methyl-butyric acid butyl ester. This reaction needs reagent NaOH and solvent acetone and H2O at temperature of 0 °C. The yield is 34%.
When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. It is also irritating to eyes, respiratory system and skin. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCCCC)\C(=C)C
(2)InChI:InChI=1/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
(3)InChIKey:SOGAXMICEFXMKE-UHFFFAOYAS
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 166uL/kg (0.166mL/kg) | Journal of Pharmaceutical Sciences. Vol. 63, Pg. 376, 1974. | |
guinea pig | LD50 | skin | > 20mL/kg (20mL/kg) | National Technical Information Service. Vol. 0TS0516721, | |
mouse | LC | inhalation | > 17gm/m3/7.6H (17000mg/m3) | Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974. | |
mouse | LD50 | intraperitoneal | 1490mg/kg (1490mg/kg) | Journal of Pharmaceutical Sciences. Vol. 62, Pg. 778, 1973. | |
mouse | LD50 | oral | 12900mg/kg (12900mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(4), Pg. 6, 1976. | |
rabbit | LD50 | oral | 25gm/kg (25000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(4), Pg. 6, 1976. | |
rabbit | LD50 | skin | 11300uL/kg (11.3mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LC50 | inhalation | 4910ppm/4H (4910ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Toxicology and Environmental Health. Vol. 16, Pg. 811, 1985. |
rat | LD50 | intraperitoneal | 2304mg/kg (2304mg/kg) | Journal of Dental Research. Vol. 51, Pg. 1632, 1972. | |
rat | LD50 | oral | 16gm/kg (16000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(11), Pg. 57, 1981. |