Pentamethylene glycol
1,5-Pentanediol
CAS: 111-29-5
Molecular Formula: C5H12O2
Pentamethylene glycol - Names and Identifiers
| Name | 1,5-Pentanediol |
| Synonyms | Pentanediol 1,5-Pentandiol 1,5-Pentanediol Pentane-1,5-diol Pentylene glycol Pentane diol-1,5 pentane-1,5-diol 1,5-Pentylene glycol Pentamethylene glycol alpha,omega-Pentanediol 1,5-pentamethyleneglycol 1,5-Pentamethylene glycol |
| CAS | 111-29-5 |
| EINECS | 203-854-4 |
| InChI | InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2 |
| InChIKey | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
Pentamethylene glycol - Physico-chemical Properties
| Molecular Formula | C5H12O2 |
| Molar Mass | 104.15 |
| Density | 0.994 g/mL at 25 °C (lit.) |
| Melting Point | -18 °C |
| Boling Point | 242 °C (lit.) |
| Flash Point | 135 °C |
| Water Solubility | Miscible |
| Solubility | Methanol (Slightly) |
| Vapor Presure | <0.01 mm Hg ( 20 °C) |
| Vapor Density | 3.59 |
| Appearance | Oily Liquid |
| Color | Clear colorless |
| Odor | odorless |
| Merck | 14,7117 |
| BRN | 1560130 |
| pKa | 14.83±0.10(Predicted) |
| PH | 7.5 (H2O) |
| Storage Condition | Store below +30°C. |
| Sensitive | Hygroscopic |
| Explosive Limit | 1.3-13.1%(V) |
| Refractive Index | n20/D 1.450(lit.) |
| Physical and Chemical Properties | Colorless viscous liquid. Melting Point -18 ℃, boiling point 238-239 ℃,134 ℃(1.6kPa),120 ℃(0.4kPa), relative density 0.9941(20/4 ℃), refractive index 1.4499, flash point 129 ℃. It is miscible with water, methanol, ethanol, the same origin ketone and ethyl acetate, and the solubility in ether at 25 ° C. Is 11% by weight. Bitter in taste. |
Pentamethylene glycol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | SA0480000 |
| TSCA | Yes |
| HS Code | 29053980 |
| Toxicity | LD50 orally in Rabbit: 10000 mg/kg LD50 dermal Rabbit > 19800 mg/kg |
Pentamethylene glycol - Reference Information
| LogP | -0.49 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used as an intermediate in organic synthesis, used to make polyester, polyether, perfume, etc. Used as a chemical solvent. It can be used as a synthetic special polyester and as a chain extender in polyurethane. |
| production method | 1. tetrahydrofurfural is used as raw material and obtained by catalytic hydrogenation. The hydrogenation operation is carried out under high temperature and high pressure. The reaction temperature is 300-310 ℃, and the pressure is 22-42MPa. Due to certain difficulties in industrialization, tetrahydrofurfuryl alcohol can be first made into dihydropyran, and then dihydropyran is hydrated to produce 5-hydroxypentanaldehyde, and then 1, 5-pentanediol is obtained by catalytic hydrogenation. Add dihydropyran, water and a small amount of hydrochloric acid into the hydration kettle, react at 50 ℃ for 30-40min, neutralize the reaction solution with sodium hydroxide solution, then perform distillation, first remove water, and then collect the 60-64 ℃(0.4kPa) fraction to obtain 5-hydroxyvaleraldehyde, add it to the autoclave, and hydrogenate at 120-150 ℃ and about 6 MPa under the action of nickel catalyst. After the reaction is over, distillation under reduced pressure, collect the 119-120°C (0.4kPa) fraction, which is the finished product. 2. Epoxypentenal is obtained by photooxidation of cyclopentadiene, and then by catalytic hydrogenation at 70-100 ℃ and about 7MPa pressure. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 2000 mg/kg; Oral-mouse LD50: 6300 mg/kg |
| stimulation data | skin-rabbit 495 mg mild |
| 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 |
| auto-ignition temperature | 635 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:52:54
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