2,2-Dimethylpropan-1,3-diol
2,2-Dimethyl-1,3-propanediol
CAS: 126-30-7
Molecular Formula: C5H12O2
2,2-Dimethylpropan-1,3-diol - Names and Identifiers
2,2-Dimethylpropan-1,3-diol - Physico-chemical Properties
| Molecular Formula | C5H12O2 |
| Molar Mass | 104.15 |
| Density | 1.06 |
| Melting Point | 126-128°C |
| Boling Point | 208 °C |
| Flash Point | 107 °C |
| Water Solubility | 830 g/L (20 ºC) |
| Solubility | 830g/l |
| Vapor Presure | <0.8 mm Hg ( 20 °C) |
| Vapor Density | 3.6 (vs air) |
| Appearance | White crystal |
| Color | White |
| Merck | 14,6458 |
| BRN | 605291 |
| pKa | 14.57±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents, acetic anhydride, acid chlorides, moisture. Combustible. |
| Sensitive | Hygroscopic |
| Explosive Limit | 1.34%, 149°F |
| Refractive Index | 1.4406 (estimate) |
| MDL | MFCD00004685 |
| Physical and Chemical Properties | Properties of white crystalline solid, odorless, with hygroscopic. melting point 124~130 ℃ boiling point 210 ℃ relative density 1.06g/cm3 flash point 129 ℃ solubility, lower ketones, ethers and aromatic compounds, etc. |
| Use | Mainly used in the manufacture of resins, plasticizers and surfactants |
2,2-Dimethylpropan-1,3-diol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36 - Irritating to the eyes R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S39 - Wear eye / face protection. |
| WGK Germany | 1 |
| RTECS | TY5775000 |
| FLUKA BRAND F CODES | 3 |
| TSCA | Yes |
| HS Code | 29053990 |
2,2-Dimethylpropan-1,3-diol - Upstream Downstream Industry
| Downstream Products | Sodium formate Ibuprofen |
2,2-Dimethylpropan-1,3-diol - Nature
Open Data Verified Data
white crystalline solid, odorless, hygroscopic. The melting point was 124-130 °c. Boiling Point 210 °c. Density (21 C) 1.06g/cm3. Flash point 129 °c. Spontaneous ignition point 399. Sublimation temperature 210. Soluble in water, lower alcohols, lower ketones, ethers and aromatic compounds.
Last Update：2024-01-02 23:10:35
2,2-Dimethylpropan-1,3-diol - Preparation Method
Open Data Verified Data
- sodium formate method of isobutyraldehyde and formaldehyde in 30~35 ℃, pH value 9N11, alkali catalyst in the presence of condensation to form hydroxy tert-butyraldehyde, with excess formaldehyde in strong alkali conditions reduced to neopentyl glycol, formaldehyde is oxidized and reacted with alkali to form sodium formate. The reaction solution is neutralized with formic acid, distilled under reduced pressure for dehydration, and the concentrated solution is extracted by layers to remove sodium formate, cooled, crystallized and separated to obtain a finished product.
- hydrogenation method from isobutyraldehyde and formaldehyde by condensation, to get the hydroxyl of the aldehyde, and then by hydrogenation and reduction.
Last Update：2022-01-01 10:34:43
2,2-Dimethylpropan-1,3-diol - Introduction
Odorless, hygroscopic. Sensitive to humidity. Easily soluble in water, lower alcohols, lower ketones, ethers and aromatic compounds. The solubility in water is 65%(w/w). Sublimation temperature 210 ℃. It's irritating.
Last Update：2022-10-16 17:13:00
2,2-Dimethylpropan-1,3-diol - Use
Open Data Verified Data
neopentyl glycol has water resistance, chemical resistance, weather resistance. Its amino-baked paint has good gloss retention and is not yellowing. Mainly used for the preparation of alkyd resin, polyester resin, unsaturated polyester resin, polyurethane foam and synthetic lubricating oil and used in coatings, plasticizers. It can also be used as a raw material for the production of polymerization inhibitors, oil additives, stabilizers and pesticides.
Last Update：2022-01-01 10:34:42
2,2-Dimethylpropan-1,3-diol - Safety
Open Data Verified Data
- low toxicity. Rat oral LD5o ≥ 6400mg/kg. Mouse oral LD50 3200 ~ 6400mg/kg. Small skin irritation. But a lot of drinking will stimulate the central nervous system, causing Vomit, fatigue, lethargy, Dyspnea, tremor, kidney congestion and bleeding, liver fat lesions, closed urine, bronchitis and Pneumonia and other symptoms, severe cases even lead to death.
- packaged in galvanized iron drum, 25kg per barrel. Store in a cool, ventilated place, sunscreen, heat, moisture. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:34:43
2,2-Dimethylpropan-1,3-diol - Reference Information
| LogP | -0.15 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Mainly used in the manufacture of resins, plasticizers and surfactants Neopentyl glycol has a wide range of uses, mainly used for the production of unsaturated polyester resins, oil-free alkyd resins, plasticizers for polyurethane foams and elastomers, additives for advanced lubricating oils and other fine chemicals. Neopentyl glycol is an excellent solvent and can be used for selective separation of aromatic hydrocarbons and cycloalkyl hydrocarbons. Neopentyl glycol has water resistance, chemical resistance and weather resistance. Its amino baking paint has good gloss retention and does not turn yellow. It can also be used as a raw material for the production of polymerization inhibitors, stabilizers, and pesticides. Plasticizer. Organic synthesis. Polyester synthetic raw materials. |
| production method | 1. sodium formate isobutyraldehyde and formaldehyde are condensed in the presence of 30-35 ℃, pH 9-11, and alkali catalyst to generate hydroxyl tert-butyraldehyde, and excess formaldehyde is reduced to neopentyl glycol under strong alkali conditions, formaldehyde is oxidized and reacts with alkali to generate sodium formate. The reaction liquid is neutralized with formic acid, distilled and dehydrated under reduced pressure, and the concentrated liquid is extracted in layers. After removing sodium formate, it is cooled, crystallized and separated to obtain the finished product. 2. Hydrogenation method is obtained by condensation of isobutyraldehyde and formaldehyde to obtain hydroxyneopental, which is then obtained by hydrogenation reduction. |
| auto-ignition temperature | 750 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:32:03
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