Tetrahydro-4H-pyran-4-ol
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Basic information
- CAS
2081-44-9- Standard SMILES
OC1CCOCC1- InChIKey
LMYJGUNNJIDROI-UHFFFAOYSA-N- Molecular formula
- C5H10O2
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.06807956
Names & identifiers
- Preferred name
- Tetrahydro-4H-pyran-4-ol
- IUPAC
- oxan-4-ol
- English name
- Tetrahydro-4-pyranol
- Molecular formula
- C5H10O2
- Molecular weight
- 102.13
Names & synonyms
2081-44-9Tetrahydro-2H-pyran-4-oloxan-4-ol2H-Pyran-4-ol, tetrahydro-Tetrahydro-4H-pyran-4-olZZ9W8N9YQVEINECS 218-210-8DTXSID90174921RefChem:188629DTXCID9097412218-210-8LMYJGUNNJIDROI-UHFFFAOYSA-N
Show more names
POHTetrahydropyranol2H-Pyran-4-ol4-HYDROXYTETRAHYDROPYANTetrahydro-4-pranol
Tetrahydro-4-pyranoltetrahydropyran-4-ol4-HydroxytetrahydropyranTetrahydro-pyran-4-olMFCD000066334-hydroxytetrahydro-4h-pyrantetrahydro-pyran-4ol4-hydroxy tetrahydropyran
Database identifiers
- CAS
2081-44-9- PubChem CID
- 74956
- DTXSID
DTXSID90174921- UNII
- ZZ9W8N9YQV
- EC Number
- 218-210-8
- Nikkaji
- J236.606A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48
Physicochemical properties
- Boiling point
- 87 °C/15 · 87 °C/15 mmHg (lit.)
- Density
- 1.071 g/mL · 1.071 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.462(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- form
- Oil
- pka
- 14.61 · 14.61±0.20(Predicted)
- color
- Clear Colourless
- BRN
- 102736 · 102736
- InChI
- InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
- InChIKey
- LMYJGUNNJIDROI-UHFFFAOYSA-N
- SMILES
- C1OCCC(O)C1
- LogP
- -0.44 · -0.440 (est)
- CAS DataBase Reference
- 2081 · 2081-44-9(CAS DataBase Reference)
- FDA UNII
- 9 W8N9YQV · ZZ9W8N9YQV
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
Danger
H315 (10.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 21-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21179
Hazard Classes and CategoriesSkin Irrit. 2 (10.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 1993
- hs_code
- 2932999099
- risk_code
- 41-36/37/38-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,Xn
- safety_code
- 26-39-36/37/39-23
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
Chemistry & industry
Applications
UsesTetrahydro-4-pyranol (4-Hydroxytetrahydropyran) was used in the quantitative analysis of 3-hydroxytetrahydropyran (3-HTHP).
UsesTetrahydro-4-pyranol is a building block of various organic compounds and pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
312 records
Compound notes
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