1 3 -PROPANEDIOL (PROPANDIOL )
1,3-Propanediol
CAS: 504-63-2
Molecular Formula: C3H8O2
1 3 -PROPANEDIOL (PROPANDIOL ) - Names and Identifiers
| Name | 1,3-Propanediol |
| Synonyms | nsc65426 1,3-prpanediol 1,3-Propandiol 2-Deoxyglycerol 1,3-Propanediol propane-1,3-diol 1,3-Propylenediol Trimethyleneglycol beta-propyleneglycol 1,3-Dihydroxypropane beta-Propylene glycol 2-(Hydroxymethyl)ethanol 1,3-PROPANEDIOL FOR SYNTHESIS 1 3 -PROPANEDIOL (PROPANDIOL ) KARL FISCHER WATER STANDARD 100 Μ |
| CAS | 504-63-2 |
| EINECS | 207-997-3 |
| InChI | InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
1 3 -PROPANEDIOL (PROPANDIOL ) - Physico-chemical Properties
| Molecular Formula | C3H8O2 |
| Molar Mass | 76.09 |
| Density | 1.053 g/mL at 25 °C (lit.) |
| Melting Point | -27 °C (lit.) |
| Boling Point | 214 °C/760 mmHg (lit.) |
| Flash Point | >230°F |
| Water Solubility | 100 g/L |
| Solubility | H2O: soluble |
| Vapor Presure | 0.8 mm Hg ( 20 °C) |
| Appearance | Transparent liquid |
| Color | Clear |
| Merck | 14,9714 |
| BRN | 969155 |
| pKa | 14.46±0.10(Predicted) |
| PH | 4.5-7.0 (100g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 2.5%(V) |
| Refractive Index | n20/D 1.440(lit.) |
| MDL | MFCD00002949 |
| Physical and Chemical Properties | density 1.04 |
| Use | Can be used for the synthesis of a variety of drugs, new polyester PTT, pharmaceutical intermediates and new antioxidants |
1 3 -PROPANEDIOL (PROPANDIOL ) - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 38 - Irritating to the skin |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | TY2010000 |
| TSCA | Yes |
| HS Code | 29053980 |
| Toxicity | LD50 orally in Rabbit: 15670 mg/kg LD50 dermal Rabbit > 20000 mg/kg |
1 3 -PROPANEDIOL (PROPANDIOL ) - Upstream Downstream Industry
| Downstream Products | 1,3-Dichloropropane |
1 3 -PROPANEDIOL (PROPANDIOL ) - Reference
| Reference Show more | 1. [IF=3.665] Qingxia Xue et al."A bio-safe cyclophosphazene derivative flame retardant for polylactic acid composites: Flammability and cytotoxicity."Polym Advan Technol. 2021 Jan;32(1):368-378 |
1 3 -PROPANEDIOL (PROPANDIOL ) - Introduction
Sweet. Can be miscible with water and ethanol.
Last Update：2022-10-16 17:25:38
1 3 -PROPANEDIOL (PROPANDIOL ) - Reference Information
| FEMA | 4753 | 1,3-PROPANEDIOL |
| LogP | -0.71 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | 1, 3-propanediol (1,3-Propanediol,PDO) is mainly used to produce new polyester polytrimethylene terephthalate (PTT). PTT not only has the chemical stability of polyethylene terephthalate (PET), but also has good rebound performance and pollution resistance, so it has a good application prospect in the field of textiles. |
| application | 1,3-PDO can also be used as antifreeze, emulsifier and other fine chemical raw materials. At present, only Degusai (Degussa), Shell and DuPont have achieved industrial production abroad. |
| Production process | Ethylene oxide hydroformylation method: first, ethylene oxide and synthesis gas are hydroformylated into HPA, and then hydrogenated into 1,3-PDO. The key to the Shell process is the use of cobalt carbonyl catalysts in the hydroformylation process, and the use of a variety of ligands (such as diphosphine, phosphine trihydride, arsenic trihydride, etc.) and additives (tetrabutylphosphorous acetate, Butylpentylpyridine, etc.), based on ethylene oxide, the yield of 1,3-PDO can reach 85% ~ 90%, and the product purity can reach 99.6% (mass ratio). |
| Uses | Used as organic synthesis, synthesis of various drugs and new antioxidants antifreeze. Solvent. Organic synthesis. Standard for analysis by gas chromatography. It can be used for the synthesis of a variety of drugs, new polyester PTT, pharmaceutical intermediates and new antioxidants |
| production method | refining method glycerol can be removed by fractionation after treatment with activated carbon or azeotropic distillation with methylcyclohexane. To remove 1, 2-propanediol can be fractionated under reduced pressure or treated with activated alumina. Other refining methods include drying with potassium carbonate and decompression distillation. To obtain high purity products, benzaldehyde can be reacted with 1,3-propylene glycol to produce 2-phenyl -1,3-diane (m.p. 47~19 ℃). After separation, 0.5mol/L? HCl(3 mL/g) and 2-phenyl -1,3-diane are strongly shaken for 15 minutes. Let it decompose overnight at room temperature, neutralize with potassium carbonate, and distill to remove benzaldehyde. The residual aqueous solution is continuously extracted with chloroform for one day, the extract is dried with potassium carbonate, and 1, 3-propanediol can be evaporated after the chloroform is evaporated. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | oral administration-rat LDL0: 10000 mg/kg; Oral administration-mouse LD50:4773 mg/kg |
| flammability hazard characteristics | combustible in case of open flame, high temperature and strong oxidant; Combustion emission stimulates smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | foam, dry powder, carbon dioxide, sand |
| spontaneous combustion temperature | 405°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:21:28
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