Basic information
- Standard SMILES
OCc1ccccn1- InChIKey
SHNUBALDGXWUJI-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276384
Overview
2-Pyridinylmethanol is a member of pyridines.
Names & identifiers
- Preferred name
- Piconol
- IUPAC
- pyridin-2-ylmethanol
- English name
- 2-(Hydroxymethyl)pyridine
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
Show more names
Database identifiers
- CAS
586-98-1- PubChem CID
- 11474
- DTXSID
DTXSID8046531- ChEMBL
CHEMBL2103981- ChEBI
CHEBI:195070- UNII
- 7HQ8UT1TPS
- EC Number
- 209-592-7
- Nikkaji
- J32.889H
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 5 °C · 5 °C
- Boiling point
- 112 · 112-113 °C/16 mmHg (lit.)
- Density
- 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
- vapor pressure
- 3.47 Pa · 3.47Pa at 25℃
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- miscible
- form
- Liquid
- pka
- 13.48 · 13.48±0.10(Predicted)
- color
- Clear colorless to yellow or brown
- Specific Gravity
- 1.131 · 1.131
- PH
- 6 · 6-8 (100g/l, H2O, 20℃)
- Odor
- pyridine odor
- Water Solubility
- miscible
- Sensitive
- Hygroscopic
- BRN
- 107849 · 107849
- InChI
- 1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
- InChIKey
- SHNUBALDGXWUJI-UHFFFAOYSA-N
- SMILES
- OCc1ccccn1
- LogP
- 0.11 · 0.11
- CAS DataBase Reference
- 586 · 586-98-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 HQ8UT1TPS · 7HQ8UT1TPS
- NIST Chemistry Reference
- Piconol(586-98-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 4689000 · UT4689000
- F
- 3 · 3-8
- Hazard Note
- Irritant/Keep Cold/Hygroscopic
- HazardClass
- IRRITANT, HYGROSCOPIC, KEEP COLD
- HS Code
- 29333999 · 29333999
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (87.7%): 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)
Aggregated GHS information provided per 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 12-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19922
2-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 3-8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- UT4689000
- hs_code
- 29333999
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant/Keep Cold/Hygroscopic
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT, HYGROSCOPIC, KEEP COLD
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesdecongestant
UsesA pyridylalcohol with hypoglycemic activity and potential apoptotic effect in human leukemia cells.
Uses2-Pyridinemethanol is used as a pyridylalcohol with hypoglycemic activity.
Preparation methods
PreparationThe preparation of 2-(Hydroxymethyl)pyridine is as follows:NaOH (0.5 g, 12.5 mmol), Al2O3 (2.0 g, 19.6 mmol), aldehyde 1f-g (2 mmol) and H2O (400 μL) were grinded in a mortar. Next, the paste were placed in a glass 10 mL pressure vials and reaction was carried out in microwave reactor: standard mode (200 W), 100 °C, 2 min. After that, reaction mixture was extracted with DCM (2 × 20 mL). Organic layer was evaporated under reduce pressure yielding 2f-g. Solid residue was washed by water (2 × 15 mL). Aqueous phase was acidify with 1N HCl to pH 5.5 and centrifuged. After that aqueous layer was pour down and precipitate was lyophilisated. Products 3f-g were obtained as white solids.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: 2-Pyridinylmethanol is a member of pyridines.
Related reactions
Linked notes
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