decane-1,10-diol
1,10-Decanediol
CAS: 112-47-0
Molecular Formula: C10H22O2
decane-1,10-diol - Names and Identifiers
| Name | 1,10-Decanediol |
| Synonyms | Decanediol 1,10-Decandiol 1,10-Decanediol 1,10-DECANEDIOL decane-1,10-diol DECAMETHYLENEDIOL TIMTEC-BB SBB008880 DECAMETHYLENE GLYCOL 1,10-DIHYDROXYDECANE 1,10-Dihydroxydecane Decamethylene glycol 1,10-Dihydroxydecane) 1,10-decamethylenediol 1,10-Decamethylene diol 1,10-Decamethylene glycol 1,10-Decanediol, (Decamethylene glycol |
| CAS | 112-47-0 |
| EINECS | 203-975-2 |
| InChI | InChI=1/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2 |
| InChIKey | FOTKYAAJKYLFFN-UHFFFAOYSA-N |
decane-1,10-diol - Physico-chemical Properties
| Molecular Formula | C10H22O2 |
| Molar Mass | 174.28 |
| Density | 1,08 g/cm3 |
| Melting Point | 70-73°C |
| Boling Point | 297 °C |
| Flash Point | 152 °C |
| Water Solubility | Insoluble |
| Solubility | 0.7g/l |
| Appearance | White crystal or powder |
| Color | White |
| Merck | 14,2849 |
| BRN | 1698975 |
| pKa | 14.89±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with oxidizing agents, acid chlorides, acid anhydrides, chloroformates, reducing agents. |
| Refractive Index | 1.4603 (estimate) |
| MDL | MFCD00004749 |
| Physical and Chemical Properties | White needle-like crystals. Melting Point 72-75 °c, boiling point 192 °c (2.67kPa),170 °c (1.07kPa). Soluble in alcohol and hot ether, almost insoluble in cold water and petroleum ether. |
| Use | For the preparation of flavors and fragrances |
decane-1,10-diol - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | HD8433713 |
| TSCA | Yes |
| HS Code | 29053980 |
| Toxicity | LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat > 2000 mg/kg |
decane-1,10-diol - Upstream Downstream Industry
| Raw Materials | Sebacic acid |
decane-1,10-diol - Introduction
Easily soluble in alcohol and hot ether, almost insoluble in cold water and petroleum ether
Last Update：2022-10-16 17:12:13
decane-1,10-diol - Reference Information
| LogP | 2.73 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | pharmaceutical intermediates. for the preparation of flavors and fragrances |
| Production method | It is obtained by esterification and reduction of sebacic acid. 1. Esterification Add sebacic acid, ethanol, benzene and p-toluenesulfonic acid to a reaction pot equipped with a water separator, heat and reflux, with water for about 4-5h, until it is separated without water, cool and filter to obtain crude diethyl sebacate. 85% yield. 2. Reduction First, diethyl sebacate and absolute ethanol are put into the reaction pot, and then the metal sodium is gradually added under stirring and cooling, and heated and refluxed until the metal sodium is completely dissolved without residue. Steam distillation is carried out to recover ethanol, then water is added to dilute and cool. The precipitated crude product is recrystallized with benzene to obtain the finished product with a yield of 54%. |
| spontaneous combustion temperature | 320°C DIN 51794 |
Last Update：2024-04-09 21:01:54
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Raw Materials for decane-1,10-diol