Completing data — refresh the page later to see the latest
Basic information
- CAS
24724-52-5- Standard SMILES
CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12- InChIKey
PEWFWDOPJISUOK-CYBMUJFWSA-N- Molecular formula
- C16H16O6
- Average molar mass
- 304.298 g/mol
- Monoisotopic mass
- 304.09468823
Names & identifiers
- Preferred name
- (+)-Oxypeucedanin hydrate
- IUPAC
- 4-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one
- English name
- 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
- Molecular formula
- C16H16O6
- Molecular weight
- 304.29
Names & synonyms
(±)-Prangol5-(2,3-Dihydroxy-3-methylbutoxy)psoralen4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one7H-Furo[3,2-g][1]benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutoxy)-
Database identifiers
- CAS
24724-52-5、2643-85-8- PubChem CID
- 17536
- DTXSID
DTXSID90949318- ChEMBL
CHEMBL1651088、CHEMBL454060- ChEBI
CHEBI:69829- EC Number
- 866-277-2
- Nikkaji
- J64.882E
Properties
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- Boiling point
- 544.3 · 544.3±50.0 °C(Predicted)
- Density
- 1.386 · 1.386
- storage temp.
- -20 °C · -20°C
- pka
- 13.8 · 13.80±0.20(Predicted)
- Major Application
- 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 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P264-P270-P280-P301+P312-P302+P352
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P261-P264-P270-P280-P301+P312-P302+P352
Chemistry & industry
Applications
Usesfood and beverages
Suppliers4 total
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one is a member of psoralens.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…