2,4,7,9-Tetramethyl-5-decyn-4,7-diol
2,4,7,9-Tetramethyl-5-decyn-4,7-diol
CAS: 126-86-3
Molecular Formula: C14H26O2
2,4,7,9-Tetramethyl-5-decyn-4,7-diol - Names and Identifiers
| Name | 2,4,7,9-Tetramethyl-5-decyn-4,7-diol |
| Synonyms | TMDD SURFYNOL TG TIMTEC-BB SBB008941 TETRAMETHYL DECYNEDIOL 2,4,7,9-TETRAMETHYL-5-DECYN-4,7-DIOL 2,4,7,9-Tetramethyl-5-decyn-4,7-diol 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL 2,4,7,9-tetramethyldec-5-yne-4,7-diol 5-DECYNE-4,7-DIOL-2,4,7,9-TETRAMETHYL 2,4,7,9-Tetramethyl-5-Decyne-4,7-diol 1,4-diisobutyl-1,4-dimethylbutynediol 4,7-DIHYDROXY-2,4,7,9-TETRAMETHYL-5-DECYNE (4R,7S)-2,4,7,9-tetramethyldec-5-yne-4,7-diol (4S,7S)-2,4,7,9-tetramethyldec-5-yne-4,7-diol (4R,7R)-2,4,7,9-tetramethyldec-5-yne-4,7-diol 2,4,7,9-Tetramethyl-5-decyne-4,7-diol,mixture of () and meso |
| CAS | 126-86-3 |
| EINECS | 204-809-1 |
| InChI | InChI=1/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3/t13-,14-/m1/s1 |
| InChIKey | DCAZNTOSTOZBEI-UHFFFAOYSA-N |
2,4,7,9-Tetramethyl-5-decyn-4,7-diol - Physico-chemical Properties
| Molecular Formula | C14H26O2 |
| Molar Mass | 226.35 |
| Density | 0,89 g/cm3 |
| Melting Point | 42-44°C(lit.) |
| Boling Point | 255°C(lit.) |
| Flash Point | >230°F |
| Water Solubility | 1.7g/L at 20℃ |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.66Pa at 20℃ |
| Appearance | Solid |
| Color | White to Off-White |
| BRN | 1724053 |
| pKa | 12.92±0.29(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4560 (estimate) |
2,4,7,9-Tetramethyl-5-decyn-4,7-diol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36 - Irritating to the eyes R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S39 - Wear eye / face protection. S37/29 - |
| UN IDs | 3077 |
| WGK Germany | 3 |
| HS Code | 29053990 |
| Packing Group | III |
2,4,7,9-Tetramethyl-5-decyn-4,7-diol - Reference Information
| LogP | 2.8 at 22℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2,4,7, 9-tetramethyl-5-decane-4, 7-diol is an alkyne diol. As a kind of non-ionic surfactant with special structure, alkyne diol has a wide range of applications in many fields, such as pesticides, pharmaceutical and chemical intermediates, Metal Treatment, synthetic materials and daily chemical industry. |
| Application | 2,4,7, 9-tetramethyl-5-decane-4, 7-diol is an alcohol organic substance, which is widely used in many fields, such as pesticides, pharmaceutical and chemical intermediates, Metal Treatment, synthetic materials and daily chemical industry. |
| synthesis method | 99.5% of the nitrogen gas was introduced into the reactor for three times, and the air in the reactor was replaced, in order to avoid the adverse effects of oxygen in the air on the reaction. Then 2600 of liquid ammonia is transported to the reaction kettle, and then acetylene is continuously transported to the reaction kettle at a flow rate of 2 m3/h, and the alkynylation reaction is divided into five stages: a, the temperature of the kettle is 10 ℃, the pressure inside the kettle is 0.2MPa, and the reaction time is 1H; B. The temperature of the kettle is increased to 15 ℃, and the pressure inside the kettle is increased to 0.5MPa, then methyl isobutyl ketone and catalyst were added at the same time as the reaction was carried out, the flow rate of methyl isobutyl ketone was 50L/h, the flow rate of catalyst was 50ml/h, and the reaction time was 1h, raise the temperature of the kettle to 20 ℃, raise the pressure in the kettle to 1.0MPa, and then add methyl isobutyl ketone and catalyst while carrying out the reaction, and the flow rate of adding methyl isobutyl ketone is 80L/h, the flow rate of the added catalyst is 20ml/h, and the reaction time is 2.5h;d. The temperature of the kettle is increased to 25 ℃, and the pressure in the kettle is increased to 1.2MPa, then methyl isobutyl ketone and catalyst are added at the same time of reaction, wherein the flow rate of methyl isobutyl ketone is 120L/h, the flow rate of catalyst is 30ml/h, and the reaction time is 2h; e. Stop adding methyl isobutyl ketone and catalyst, raise the kettle temperature to 30 ℃, raise the pressure inside the kettle to 1.3MPa, and the reaction time is 2H to obtain the reactant; After the end of the alkynylation reaction, slowly add water to the reaction kettle, and stir until water and the reactant fully react to obtain the hydrolysate; Transport the hydrolysate to the container, stand for 30 minutes, separate the layers, and divide them into aqueous phase layers, the emulsion layer and the oil phase layer, and then the aqueous phase layer and the emulsion layer are discharged, and hydrochloric acid is added to the oil phase layer to bring the pH value to 7 to obtain a neutralized substance; The neutralized substance is distilled, when the flow-out was anhydrous, it was stopped to obtain a finished product of 2,4,7, 9-tetramethyl-5-decyn-4, 7-diol. The yield of the finished product was 93%. Wherein, the catalyst is selected from the potassium hydroxide aqueous solution of 45% by weight, the dosage is 2.07; The dosage of acetylene is 64kg, the dosage of methyl isobutyl ketone is 500kg, the amount of water used in the hydrolysis was 2500. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:49:11
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