HuagongsheHuagongshe Chemistry Print Report · For research reference only
Glyceryl Allyl Ether
GAE · 3-AL · NSC 59722 · -Allylglyceroether · ether,allylglyceryl · oxy-1,2-propanedioL · glycerin1-allylether · Glycerin allyl ether
Identifiers & Physical Properties
| CAS No. | 123-34-2 |
|---|---|
| Molecular formula | C6H12O3 |
| Average molar mass | 132.16 g/mol |
| Monoisotopic mass | 132.07864424 g/mol |
| SMILES | C=CCOCC(O)CO |
| InChIKey | PAKCOSURAUIXFG-UHFFFAOYSA-N |
| PubChem CID | 78950 |
| ChEMBL | CHEMBL3182656 |
| EC No. | 204-620-4 |
| DTXSID | DTXSID4044375 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 49.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 72.7 |
| Cosmetics | Cosmetic ingredients (Glyceryl Allyl Ether) -> CIR (Cosmetic Ingredient Review) |
| Melting point | -100 °C |
| Boiling point | 142 °C28 mm Hg(lit.) |
| Density | 1.068 g/mL at 25 °C(lit.) |
| Vapor pressure | 0.004 hPa (20 °C) |
| Refractive index | n20/D 1.462(lit.) |
| Flash point | 132 °C |
| Storage conditions | Store below +30°C. |
| Solubility | Completely miscible in water163.2g/L at 25℃ |
| pKa (acidity coefficient) | 13.75±0.20(Predicted) |
| Physical state | Viscous Liquid |
| Color | Clear colorless to light yellow |
| pH | 6.5-7.5 (1000g/l, H2O, 20℃) |
| BRN | 1701144 |
| InChI | 1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2 |
| InChIKey | PAKCOSURAUIXFG-UHFFFAOYSA-N |
| SMILES | OCC(O)COCC=C |
| LogP (partition coefficient) | 0.29 at 23℃ |
| CAS DataBase Reference | 123-34-2(CAS DataBase Reference) |
| FDA UNII | 085RW4Y3PU |
| EPA Substance Registry System | Glycerol 1-allylether (123-34-2) |
| UNSPSC Code | 12162002 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319 |
| GHS precautionary statements | P264-P280-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36 |
| Safety statements (S) | 26 |
| Water hazard class (WGK) | 1 |
| RTECS number | TY2700000 |
| TSCA inventory status | TSCA listed |
| Customs code | 2909 49 80 |
| Storage class | 10 - Combustible liquids |
| Toxicity | LD50 orally in Rabbit: 5400 mg/kg LD50 dermal Rat 4300 mg/kg |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 100 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 1,2-Propanediol, 3-(2-propenyloxy)-1,2-Propanediol, 3-(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-(2-propen-1-yloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/226031,2-Propanediol, 3-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Toxicity summary | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| RTECS number | TY2700000 |
| Customs code | 2909 49 80 |
| Toxicity | LD50 orally in Rabbit: 5400 mg/kg LD50 dermal Rat 4300 mg/kg |
| Risk statements (R) | 36 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
Applications & Uses
Uses
3-Allyloxy-1,2-propanediol is a useful synthetic intermediate. It is used to prepare doxorubicin analogs. It is also used to synhesize poly(ethylene glycol)-lipid conjugates suitable for use in drug delivery.