1,2-Pentanediol
1,2-Pentanediol
CAS: 5343-92-0
Molecular Formula: C5H12O2
1,2-Pentanediol - Names and Identifiers
| Name | 1,2-Pentanediol |
| Synonyms | PTD Pentanediol 1,2-Pentanediol PENTANE-1,2-DIOL pentane-1,2-diol (2R)-pentane-1,2-diol (2S)-pentane-1,2-diol pentyleneglycol,1,2-pentanediol 1,2-Pentanediol TDS free sample MSDS Pentane-1,2-diol COA TDS free sample MSDS 1,2-Pentanediol COA MSDS free sample Pentane-1,2-diol |
| CAS | 5343-92-0 |
| EINECS | 226-285-3 |
| InChI | InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1 |
| InChIKey | WCVRQHFDJLLWFE-UHFFFAOYSA-N |
1,2-Pentanediol - Physico-chemical Properties
| Molecular Formula | C5H12O2 |
| Molar Mass | 104.15 |
| Density | 0.971 g/mL at 25 °C (lit.) |
| Melting Point | 50.86°C (estimate) |
| Boling Point | 206 °C (lit.) |
| Flash Point | 104 °C |
| Water Solubility | miscible |
| Vapor Presure | 1.5Pa at 20℃ |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| BRN | 1732199 |
| pKa | 14.49±0.20(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.439(lit.) |
| Physical and Chemical Properties | 1, 2-pentanediol is a colorless transparent liquid, B. p.206 ℃,n20D 1.4400, relative density 0.971, soluble in alcohol, ether and ethyl acetate and other organic solvents. |
1,2-Pentanediol - Risk and Safety
| Risk Codes | 36/38 - Irritating to eyes and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | SA0455000 |
| FLUKA BRAND F CODES | 3 |
1,2-Pentanediol - Reference Information
| LogP | 0.06 at 25℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| important organic intermediate | 1, 2-pentanediol is an important organic intermediate, which is used for the synthesis of propiconazole, a special fungicide for cash crops. It also has excellent moisturizing performance and antiseptic effect, and is used in various skin care products such as skin cream, eye cream, skin care water, baby care products, sunscreen, etc, it is also an important raw material for the production of polyester fiber, surfactant, medicine and other products. 1, 2-pentanediol is an excellent humectant with antibacterial effect, and has synergistic effect with traditional preservatives, which also helps to reduce the amount of traditional preservatives in the formula. In sunscreen products, it is more helpful to improve the water resistance of the product and the solubility of some components. 1, 2-pentanediol contributes to the stability of the formula, and can also reduce the stickiness of the formula caused by the addition of polymers. |
| product characteristics | 1, broad-spectrum antibacterial activity, which can effectively inhibit gram-negative bacteria, positive bacteria, yeast and mold. 2. As an emollient, pentanediol has good skin moisturizing performance, can reduce the loss of water in the skin, the skin is soft and smooth, and improves the emollient function of skin care products. 3. pentanediol is a multifunctional ingredient with excellent inhibitory ability to microorganisms. its ingredients are not registered as preservatives. they are products that can be used in cosmetics and fully support the concept of "zero added preservatives. 4, mild and non-irritating, reducing irritation and allergy caused by preservatives, and at the same time, it is a high-purity liquid emollient with broad-spectrum antibacterial effect. It is classified as emollient, very mild, in line with international regulatory trends, and is widely used worldwide. 5. It has good compatibility and can be added to the oil phase to improve the water resistance of the sunscreen product formula. Soluble in water, easily dissolved in ethylene glycol, propylene glycol, glycerol and other polyols. |
| application of skin care products | 1, 2-pentanediol is a small molecule moisturizer and is a synthetic moisturizer. it is used as a solvent and preservative in cosmetics and beauty products. it has water locking and antibacterial functions and can improve the water resistance of sunscreen products. But the ingredient has slight irritation to the eyes and no irritation to the skin. pentanediol can be used in emulsification system, water-based system, anhydrous formula and surfactant washing system, especially for maternal and infant products and non-additive series products. Such as cream, lotion, shower gel, wet paper towel, toner, shampoo, etc. In addition, pentanediol can also effectively prevent the growth of fungi in wet tissue products. |
| toxicological | is considered non-toxic and safe to use in the field of personal care products, and is applicable to active substances with numerical values: sensitivity: human RIPT (repeated patch test): no skin irritation: no eye irritation: strong irritation (at 100% concentration) |
| recommended addition amount | as synergist for anti-corrosion system, its dosage range is 0.8 ~ 4.0%. |
| function | 1. a humectant with excellent performance and antiseptic function. it can prepare products without antiseptic and reduce allergy caused by antiseptic. 2. it can improve the water resistance of sunscreen product formula. 3. Dissolve insoluble active ingredients. Used in skin cream, eye cream, skin care water, baby care products, sunscreen products and other skin care products. |
| industrial synthesis cost | 1, 2-pentanediol is the key raw material for the synthesis of fungicide propiconazole, and the global consumption is over 2000 tons/year. At present, the domestic import price of 1,2-pentanediol is about 100,000 yuan/ton. The synthesis process reported in the existing literature mainly includes the following methods:(1) n-valeric acid method: n-valeric acid bromination-> 2-bromon-valeric acid-> 2-hydroxyn-valeric acid->1, 2-pentanediol. Production cost exceeds 100,000 yuan/ton (2) n-pentanol method: n-pentanol dehydration->1-pentene->1-epoxypentane->1,2-pentanediol production cost exceeds 60,000 yuan/ton |
| improvement of hydrolysis neutralization method in 1,2-pentanediol production process | using 1,2-epoxypentane formic acid solution and calcium hydroxide as starting materials, through neutralization, hydrolysis, filtration drying, concentration, extraction, filtration drying, concentration and rectification, 1,2-pentanediol and calcium formate with high purity and high yield are obtained. The total yield of 1,2-pentanediol was 92.8% and the content was 99.5%. The yield of calcium formate is 95%, and the content is ≥ 98%. This method has mild reaction conditions and simple operation, and is suitable for industrial production.>2004, vol. 12, No. 22, authors: Zhang zhengkai, Deng yijian, Luan zhenzhong, |
| use | 1, 2-pentanediol is an important intermediate of fungicide propiconazole. |
| production method | the preparation method is to use 1-pentene, hydrogen peroxide and formic acid as raw materials, and the molar ratio is 1: 1.5: 4. The reaction equilibrium mixture is formed by the following procedure: slowly adding 1-pentene and hydrogen peroxide (70%) to formic acid at the same time at 40~55 ℃. After adding, the mixture is stirred at 55 ℃ for 1h and transferred into a circulating reaction kettle. The reaction kettle has a circulating pump and an overflow siphon, heated to 55 ℃ and circulated, then 1-pentene and formic acid are added, and added by an adding tube, hydrogen peroxide is added from another adding tube, and an exothermic reaction occurs at this time. The temperature is allowed to rise to 62~63 ℃. These components are added according to a certain ratio and speed. The balance operation is controlled by a circulating constant temperature device for about 8 hours. The reaction stops to obtain a large amount of 1,2-pentanediol formate. Formic acid and water are removed by distillation under reduced pressure, and the obtained residue is added to 25% NaOH solution for hydrolysis, solvent extraction and desolysis distillation to obtain 1,2-pentanediol, the yield can reach 91%,m p.96 ~ 98 ℃/1.3kPa. |
Last Update：2024-04-09 20:45:29
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