Basic information
- CAS
14774-37-9- Standard SMILES
OCC1CCOCC1- InChIKey
YSNVSVCWTBLLRW-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- (Oxan-4-yl)methanol
- IUPAC
- oxan-4-ylmethanol
- English name
- (Tetrahydro-2H-pyran-4-yl)methanol
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
(tetrahydro-2H-pyran-4-yl)methanol(Oxan-4-yl)methanolRefChem:406772604-599-514774-37-9Tetrahydropyran-4-methanoloxan-4-ylmethanol4-(Hydroxymethyl)tetrahydropyran(Tetrahydro-pyran-4-yl)-methanol2H-PYRAN-4-METHANOL, TETRAHYDRO-MFCD00457804tetrahydro-2H-pyran-4-ylmethanol
Show more names
15N]-Ammonium ChlorideTetrahydropyran-4-MethanoTERTAHYDROPYRAN-4-METHANOL4-(Hydroxymethyl)tetrahyd...4-(Hydroxymethyl)tetrahydropyrTetrahydropyran-4-methanol?New
tetrahydropyran-4-ylmethanol4-HYDROXYMETHYLTETRAHYDROPYRANSCHEMBL104405Tetrahydro-2-H-pyran-4-ylmethanoltetrahydro-2H-pyran-4-yl-methanol4-(hydroxylmethyl)tetrahydro-2H-pyranPS-3348(tetrahydro-2H-pyran-4-yl) methanol
Database identifiers
- CAS
14774-37-9- PubChem CID
- 2773573
- DTXSID
DTXSID90378563- EC Number
- 604-599-5
- Nikkaji
- J2.486.867B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57.5
Physicochemical properties
- Boiling point
- 105 °C · 105 °C
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- Flash point
- 61 ° · 61°(142°F)
- refractive index
- 1.46 · 1.4600
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.85 · 14.85±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
- InChIKey
- YSNVSVCWTBLLRW-UHFFFAOYSA-N
- SMILES
- C1OCCC(CO)C1
- CAS DataBase Reference
- 14774 · 14774-37-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Danger
H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1A (20%)
Safety data
- hs_code
- 29329990
- risk_code
- 36/37/38-22-41-37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-23-39
- hazard_class
- IRRITANT
- Hazard statements
- H227-H315-H318-H335
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesUsed as a reagent in the identification and optimization of pteridinone Toll-like receptor 7 agonists, which can be used for the oral treatment of viral hepatitis. 4-(Hydroxymethyl)tetrahydropyran is also a starting material for [1-[(Tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone which is a drug that acts as CB2 cannabinoid receptor agonist.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
126 records
Compound notes
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