Basic information
- CAS
1968-51-0- Standard SMILES
O=c1ccoc(CO)c1O- InChIKey
MOHHRUXIPJXZBS-UHFFFAOYSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Overview
2-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one has been reported in Talaromyces flavus with data available.
Names & identifiers
- Preferred name
- 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
- IUPAC
- 3-hydroxy-2-(hydroxymethyl)pyran-4-one
- English name
- 2-(Hydroxymethyl)-3-hydroxy-4H-pyran-4-one
- Molecular formula
- C6H6O4
- Molecular weight
- 142.11
Names & synonyms
3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-oneRefChem:502320836-858-51968-51-02-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one2-(Hydroxymethyl)-3-hydroxy-4H-pyran-4-one3-hydroxy-2-(hydroxymethyl)pyran-4-oneSCHEMBL6998427DTXSID20432107MOHHRUXIPJXZBS-UHFFFAOYSA-NBAA968512-hydroxymethyl-3-hydroxy-4-pyrone
Show more names
2-Hydroxymethyl-3-hydroxy-4H-pyran-4-one4H-Pyran-4-one, 3-hydroxy-2-(hydroxymethyl)-
AKOS0235566732-hydroxymethyl-3-hydroxy-pyran-4 (1H)-one2-hydroxymethyl-3-hydroxy-pyran-4(1 H)-oneEN300-234677Z1513596409
Database identifiers
- CAS
1968-51-0- PubChem CID
- 9869622
- DTXSID
DTXSID20432107- EC Number
- 836-858-5
- Nikkaji
- J24.831B
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 400.7 · 400.7±45.0 °C(Predicted)
- Density
- 1.542 · 1.542±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
12 records
Compound notes
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