3-Methyl butynol CAS 115-19-5
Introduction：Basic information about 3-Methyl butynol CAS 115-19-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Methyl butynol Basic information
| Product Name: | 3-Methyl butynol |
| Synonyms: | 2-Methyl-2-butynol;2-methyl-2-hydroxy-3-butyne;2-methyl-3-butyn-ol(2);2-Methylbutyn-3-ol-2;3-Butyn-2-ol,2-methyl-;AB-32;Iso-t-pentinol;2-Methyl-3-butyn-2-ol,98% |
| CAS: | 115-19-5 |
| MF: | C5H8O |
| MW: | 84.12 |
| EINECS: | 204-070-5 |
| Product Categories: | Chemistry;Acetylenes;Acetylenic Alcohols & Their Derivatives;Alkynes;Building Blocks;Chemical Synthesis;Organic Building Blocks;Terminal;bc0001;YP00036 |
| Mol File: | 115-19-5.mol |
3-Methyl butynol Chemical Properties
| Melting point | 3 °C |
| Boiling point | 104 °C(lit.) |
| density | 0.868 g/mL at 25 °C(lit.) |
| vapor pressure | 15 mm Hg ( 20 °C) |
| refractive index | n |
| Fp | 77 °F |
| storage temp. | Store below +30°C. |
| solubility | Fully miscible. |
| pka | 13.34±0.29(Predicted) |
| form | Powder or Crystals |
| color | White to yellow-beige to brown |
| PH | 7 (H2O, 20℃) |
| explosive limit | 1.8-16%(V) |
| Water Solubility | miscible |
| Merck | 14,6034 |
| BRN | 635746 |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3 |
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C#C |
| LogP | 0.318 at 20-25℃ |
| CAS DataBase Reference | 115-19-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Butyn-2-ol, 2-methyl-(115-19-5) |
| EPA Substance Registry System | 2-Methyl-3-butyn-2-ol (115-19-5) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 10-22-41 |
| Safety Statements | 26-39-16 |
| RIDADR | UN 1987 3/PG 2 |
| WGK Germany | 1 |
| RTECS | ES0810000 |
| Autoignition Temperature | 662 °F |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29052990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 2 Repr. 2 STOT SE 3 |
| Toxicity | LD50 orally in Rabbit: 1420 mg/kg LD50 dermal Rat > 2000 mg/kg |
| Chemical Properties | colourless to light yellow liquid. Methylbutynol (3-Methyl butynol) is a colorless, transparent, and aromatic liquid that can be consumed at room temperature. It is soluble in water and fatty acids and miscible with acetone, benzene, carbon tetrachloride, and petroleum ether but insoluble in ammonia. Methylbutynol and water form an azeotrope with an azeotropic point of 91 °C in the methylbutynol composition of 74% and the water composition of 26%. Methylbutynol is chemically active and has the common reactions of alcohol groups and unsaturated triple bonds, such as addition, polymerization, esterification, and oxidation reactions. |
| Uses | Stabilizer in chlorinated solvents, viscosityreducer and stabilizer, electroplating brightener,intermediate. |
| Uses | 2-Methyl-3-butyn-2-ol is used as an intermediate in the manufacture of products for the agrochemical and specialty chemical industry. |
| Application | Methylbutynol (3-Methyl butynol) is used as an intermediate in the pharmaceutical industry for the synthesis of the anticancer drug citricin. It is used as a raw material for the synthesis of pyrethroids in the pesticide industry and as a raw material in the synthesis of terpene perfumes. Because methylbutynol has good corrosion inhibition and synergistic effect, it can effectively prevent hydrogen embrittlement of metal. As an essential component of high-efficiency acidification corrosion inhibitor, it is widely used in the oil and gas industry. Methylbutynol can be applied as an acetylene carrier to safely and economically transport large acetylene quantities. This usage can be accomplished in three steps: Firstly, acetylene is stored in the form of methyl butanol by reacting the former with acetone. Secondly, the resulting methylbutynol is transported from the origin of acetylene to the place of consumption. Thirdly, acetylene and acetone can be obtained by cleavage of methylbutynol and separated to yield pure products for further applications. |
| Preparation | 3-Methyl butynol is produced from Acetone and Acetylene in liquid Ammonia with Sodamide (or in Cellosolve with Potassium hydroxide). The process yields Methylbutynol which can be hydrogenated to Methylbutenol. |
| General Description | Colorless to straw yellow liquid. |
| Air & Water Reactions | Highly flammable. |
| Reactivity Profile | 3-Methyl butynol is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. |
| Hazard | Flammable, dangerous fire risk. |
| Health Hazard | Contact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. |
| Fire Hazard | Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. |
| Flammability and Explosibility | Highly flammable |
| Synthesis | Three parts of the strong basic anion exchange resin Amberlite IRA400 were suspended in 30 parts of 7% sodium hydroxide solution to change to OH type. After washing to neutral with water, the resin was suspended in methanol, and after 15–60 min, methanol was discharged. The treatment with methanol was repeated as described above until the water content of the effluent methanol was less than 0.1% and the water content of the ion exchange resin was less than 0.2%. The tubular reactor was filled with the ion exchange resin, and then acetone was saturated with acetylene, and liquid ammonia was introduced into the reactor at 2.5 MPa and 40 °C. Excess acetylene in reactants was used to reduce the side reaction of acetone. After ethynylation, the reaction solution was subjected to a flash evaporation at 50 °C. The remaining solution was distilled to obtain methylbutynol (3-methyl butynol). |
| Toxics Screening Level | The initial threshold screening level (ITSL) for 3-Methyl butynol is 6.5 μg/m3 with annual averaging time. |
3-Methyl butynol Preparation Products And Raw materials
| Raw materials | Acetone-->Acetylene-->1-Butyne, 3-(1-ethoxyethoxy)-3-methyl--->2,5-Dimethyl-3-hexyne-2,5-diol-->2-METHYL-4-TRIMETHYLSILYL-3-BUTYN-2-OL-->PROPYNAL-->ETHYNYLMAGNESIUM BROMIDE-->2-Bromopropane-->2-Methyl-1-propanol-->SODIUM ACETYLIDE |
| Preparation Products | 2-Methyl-2-butanol-->(1,1-DIMETHYL-PROP-2-YNYL)-HYDRAZINE-->2,5-Dimethyl-2,5-hexanediol-->3-CHLORO-3-METHYL-1-BUTYNE-->(E)-6-Methyl-3,5-heptadien-2-one-->3-Methyl-2-butenal-->4-ETHYNYL-BENZOIC ACID-->4-Ethynyl-4'-pentyl-1,1'-biphenyl-->2-METHYL-1-BUTEN-3-YNE-->DI-P-TOLYLACETYLENE |
