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CAS No.: | 97-86-9 |
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Name: | Isobutyl methacrylate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H14O2 |
Molecular Weight: | 142.198 |
Synonyms: | Methacrylicacid, isobutyl ester (6CI,8CI);2-Methylpropyl methacrylate;Acryester IB;Blemmer IBMA;I 205;2-Propenoic acid,2-methyl-, 2-methylpropyl ester;Isobutyl 2-methyl-2-propenoate;Isobutyl a-methylacrylate;Light Ester IB;NSC 18607;Plexigum Q 611; |
EINECS: | 202-613-0 |
Density: | 0.892 g/cm3 |
Melting Point: | -37 °C |
Boiling Point: | 154.999 °C at 760 mmHg |
Flash Point: | 44.425 °C |
Solubility: | Soluble in organic solvents such as ethanol, ethyl ether; Insoluble in water |
Appearance: | colourless liquid |
Hazard Symbols: | Xi,N |
Risk Codes: | 10-36/37/38-43-50 |
Safety: | 24-37-61 |
Transport Information: | UN 2283 3/PG 3 |
PSA: | 26.30000 |
LogP: | 1.76170 |
Isobutyl methacrylate is an organic compound with the formula C8H14O2, and its systematic name is the same with the product name. With the CAS registry number 97-86-9, it is also named as 2-Propenoic acid,2-methyl-, 2-methylpropyl ester. It belongs to the product categories of Acrylic Monomers; C8 to C9 Monomers; Carbonyl Compounds; Esters; Methacrylate; Ester series. Its EINECS number is 202-613-0. In addition, the molecular weight is 142.20. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Reproductive Effect. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It is used as monomer of organic synthesis, and is used to synthetize resin, plastic, coatings, printing ink, adhesives, lubricant additives, dental materials, fiber treating agent and so on.
Physical properties of Isobutyl methacrylate are: (1)ACD/LogP: 2.579; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.74; (6)ACD/BCF (pH 7.4): 53.74; (7)ACD/KOC (pH 5.5): 602.78; (8)ACD/KOC (pH 7.4): 602.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 40.413 cm3; (15)Molar Volume: 159.343 cm3; (16)Polarizability: 16.021×10-24cm3; (17)Surface Tension: 25.41 dyne/cm; (18)Density: 0.892 g/cm3; (19)Flash Point: 44.425 °C; (20)Enthalpy of Vaporization: 39.175 kJ/mol; (21)Boiling Point: 154.999 °C at 760 mmHg; (22)Vapour Pressure: 3.09400010108948 mmHg at 25°C.
Preparation: this chemical can be prepared by the esterification reaction between methyl methacrylate and isobutanol. This reaction will also need catalyst sulfuric acid, then the finished products are obtained by distillation.
Uses of Isobutyl methacrylate: it can be used to produce 2,4,4-trimethyl-cyclopent-2-enone at the temperature of 100 °C. It will need reagent polyphosphoric acid (PPA) with the reaction time of 10 min. The yield is about 45.6%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact and is very toxic to aquatic organisms. When using it, you must avoid contact with skin and wear suitable gloves. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)\C(=C)C
(2)Std. InChI: InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
(3)Std. InChIKey: RUMACXVDVNRZJZ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 134uL/kg (.134mL/kg) | Journal of Pharmaceutical Sciences. Vol. 63, Pg. 376, 1974. | |
mouse | LCLo | inhalation | 29740mg/m3/5H (29740mg/m3) | Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974. | |
mouse | LD50 | intraperitoneal | 1340mg/kg (1340mg/kg) | Journal of Pharmaceutical Sciences. Vol. 62, Pg. 778, 1973. | |
mouse | LD50 | oral | 11990mg/kg (11990mg/kg) | Toxicology Letters. Vol. 11, Pg. 125, 1982. | |
rat | LCLo | inhalation | 200gm/m3/4H (200000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | National Technical Information Service. Vol. OTS0535667, |