HuagongsheHuagongshe Chemistry Print Report · For research reference only
(+)-Oxypeucedanin hydrate
(±)-Prangol · 5-(2,3-Dihydroxy-3-methylbutoxy)psoralen · 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one · 7H-Furo[3,2-g][1]benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutoxy)-
Identifiers & Physical Properties
| CAS No. | 24724-52-5 |
|---|---|
| Molecular formula | C16H16O6 |
| Average molar mass | 304.298 g/mol |
| Monoisotopic mass | 304.09468823 g/mol |
| SMILES | CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 |
| InChIKey | PEWFWDOPJISUOK-CYBMUJFWSA-N |
| PubChem CID | 17536 |
| ChEMBL | CHEMBL1651088 |
| ChEBI | CHEBI:69829 |
| EC No. | 866-277-2 |
| DTXSID | DTXSID90949318 |
Chemical & Physical Properties
| Melting point | 131-132 °C |
|---|---|
| Boiling point | 544.3±50.0 °C(Predicted) |
| Density | 1.386 |
| Storage conditions | -20°C |
| pKa (acidity coefficient) | 13.80±0.20(Predicted) |
| Major applications | food and beverages |
| InChI | 1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3 |
| InChIKey | PEWFWDOPJISUOK-UHFFFAOYSA-N |
| SMILES | O=C1C=CC2=C(C=C(OC=C3)C3=C2OCC(C(O)(C)C)O)O1 |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H317 |
| GHS precautionary statements | P261-P264-P270-P280-P301+P312-P302+P352 |
| Water hazard class (WGK) | WGK 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralSkin Sens. 1 |
Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H317 |
| Hazard class | Acute Tox. 4 OralSkin Sens. 1 |
| GHS precautionary statements | P261-P264-P270-P280-P301+P312-P302+P352 |
Applications & Uses
Uses
food and beverages