3-Hydroxy-2H-pyran-2-one
Basic information
- CAS
496-64-0- Standard SMILES
O=c1occcc1O- InChIKey
LIPRKYKMVQPYPG-UHFFFAOYSA-N- Molecular formula
- C5H4O3
- Average molar mass
- 112.08 g/mol
- Monoisotopic mass
- 112.01604399
Overview
3-Hydroxy-2H-pyran-2-one is a pyranone.
Names & identifiers
- Preferred name
- 3-Hydroxy-2H-pyran-2-one
- IUPAC
- 3-hydroxypyran-2-one
- English name
- 3-Hydroxy-2-pyrone
- Molecular formula
- C5H4O3
- Molecular weight
- 112.08
Names & synonyms
3-hydroxy-2H-pyran-2-one496-64-03-Hydroxy-2-pyrone3-Hydroxypyrone3-hydroxypyran-2-one2H-pyran-2-one, 3-hydroxy-2H-Pyran-4-one, 3-hydroxy-WBW7DM4PJLDTXSID001979243-OXIDANYLPYRAN-2-ONERefChem:502356DTXCID60120415
Show more names
Isopyromucic acid6-hydroxy-2H-pyran-2-one2H-1-Benzopyran-2-one,6-bromo-3,8-dihydro-
830-421-2InChI=1/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,63-hydroxy-2-pyranoneMFCD01318559Hydroxycoumalin3-Hydroxy-a-pyroneUNII-WBW7DM4PJLSCHEMBL284309
Database identifiers
- CAS
496-64-0- PubChem CID
- 68130
- DTXSID
DTXSID00197924- ChEMBL
CHEMBL1650618- ChEBI
CHEBI:173367- UNII
- WBW7DM4PJL
- EC Number
- 830-421-2
- Nikkaji
- J6.095J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Melting Point92 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 93.8 °C · 93.8°C
- Boiling point
- 149.97 °C · 149.97°C (rough estimate)
- Density
- 1.2552 · 1.2552 (rough estimate)
- refractive index
- 1.439 · 1.4390 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol (Slightly)
- form
- Solid
- pka
- 8.13 · 8.13±0.20(Predicted)
- color
- Light Beige to Beige
- Water Solubility
- 43.1 g/L · 43.1g/L(0 ºC)
- Stability
- Hygroscopic
- InChI
- InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H316 (100%): Causes mild skin irritation [Warning Skin corrosion/irritation]
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P332+P317, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Mild Irrit. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H316
- Precautionary statements
- P332+P313-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 3-Hydroxy-2H-pyran-2-one is a pyranone.
Suppliers
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Related reactions
4 records
Compound notes
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