2,2,4-Trimethylpentandiol
2,2,4-Trimethylpentane-1,3-diol
CAS: 144-19-4
Molecular Formula: C8H18O2
2,2,4-Trimethylpentandiol - Names and Identifiers
| Name | 2,2,4-Trimethylpentane-1,3-diol |
| Synonyms | TMPD TMPD glycol 2,2,4-Trimethylpentandiol 1,3-PENTANEDIOL,2,2,4-TRIME 2,2,4-TriMethyl-1,3-pentandiol 2,2,4-Trimethylpentane-1,3-diol 2,2,4-Trimethyl-1,3-pentanediol (3S)-2,2,4-trimethylpentane-1,3-diol (3R)-2,2,4-trimethylpentane-1,3-diol 2,2,4-TriMethyl-1,3-pentanediol (TMPD) |
| CAS | 144-19-4 |
| EINECS | 205-619-1 |
| InChI | InChI=1/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3/t7-/m1/s1 |
| InChIKey | JCTXKRPTIMZBJT-UHFFFAOYSA-N |
2,2,4-Trimethylpentandiol - Physico-chemical Properties
| Molecular Formula | C8H18O2 |
| Molar Mass | 146.23 |
| Density | 0,937 g/cm3 |
| Melting Point | 50-53 °C (lit.) |
| Boling Point | 232 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | 31.5g/L at 20℃ |
| Solubility | Soluble in alcohol; Ketone; Aromatic solvent, hardly soluble in water and aliphatic hydrocarbons. |
| Vapor Presure | 0.314Pa at 20℃ |
| Appearance | White solid or flake powder |
| Color | Off-White |
| BRN | 1698098 |
| pKa | 14.81±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4513 |
| MDL | MFCD00004681 |
| Physical and Chemical Properties | Character: white crystal. soluble in alcohol, ketone, aromatic hydrocarbon solvents, insoluble in water and aliphatic hydrocarbons. |
| Use | Mainly used in the manufacture of polyester resin, coating alkyd resin, also used in the synthesis of ester products, in coatings, plastics, such as plasticizers |
2,2,4-Trimethylpentandiol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| 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 |
| WGK Germany | 1 |
| RTECS | SA1400000 |
| TSCA | Yes |
2,2,4-Trimethylpentandiol - Introduction
Can react with various acids to form monoester or diester
Last Update：2022-10-16 17:13:57
2,2,4-Trimethylpentandiol - Reference Information
| LogP | 1.25 at 22℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | 2,2, 4-trimethyl-1, 3-pentanediol, referred to as TMPD, is one of the organic chemical intermediates Texanol alcohol esters and TXIB plasticizers. it is commonly used in the synthesis of unsaturated polyester, printing ink, surfactant, plasticizer, synthetic lubricating oil, insect repellent, perfume, polyurethane, extractant and other products, therefore, it shows a wide range of uses and high commercial value in industries such as surface coatings and petroleum processing. |
| preparation | add a certain concentration of NaOH aqueous solution to a three-mouth flask with a dropping funnel, a condensation system and a thermometer, preheat the water bath to a certain temperature, slowly add 50g isobutyraldehyde dropwise under N2 protection and magnetic stirring conditions, naturally drop to room temperature after the reaction is over, wash with water, stand still, and separate the solution. The lower lye is recovered and the upper liquid is taken for gas chromatography analysis. The conversion rate of isobutyraldehyde is 99%, the selectivity of the product is 99.5%, and the one-way yield is 99.5%. The separated oil layer was subjected to vacuum distillation to obtain the product 2,2, 4-trimethyl-1, 3-pentanediol. The product was analyzed by GC, and the result was: the mass fraction of 2,2, 4-trimethyl-1, 3-pentanediol was 99.08%. |
| use | mainly used for manufacturing polyester resin, alkyd resin for coatings, also used for synthetic ester products, used as plasticizer in coatings and plastics, etc. used for testing latex paint for interior wall decoration of GB18582001, belonging to VOC gas phase detection Saturated polyester resin, water-based polyester resin, unsaturated polyester resin, alkyd resin, polyurethane, plasticizer intermediate, printing ink, synthetic perfume, surface Active agent, insect repellent. |
| production method | is made by hydrogenation of trimer of isobutyraldehyde. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:06
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