Basic information
- CAS
1121-25-1- Standard SMILES
Cc1ncccc1O- InChIKey
AQSRRZGQRFFFGS-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276384
Overview
3-hydroxyl-2-methylpyridine is a member of methylpyridines.
Names & identifiers
- Preferred name
- 2-Methylpyridin-3-ol
- IUPAC
- 2-methylpyridin-3-ol
- English name
- 3-Hydroxy-2-methylpyridine
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
3-Hydroxy-2-methylpyridine1121-25-12-Methylpyridin-3-ol3-Pyridinol, 2-methyl-365FJ23A8ZEINECS 214-327-3NSC-27506DTXSID40149907NSC 27506RefChem:476225DTXCID6072398214-327-3
Show more names
-3-pyridinoL6-Methylpyridin-5-ol-Hydroxy-2-Methylpyridine2-METHYL-3-PHENYLTHIOPHENE
3-Hydroxy-2-picoline2-Methyl-3-pyridinol2-Methyl-3-hydroxypyridineMFCD000825382-Methyl-pyridin-3-ol55780-69-32methylpyridin-3-ol2-methyl-3-pyridol
Database identifiers
- CAS
1121-25-1- PubChem CID
- 70719
- DTXSID
DTXSID40149907- ChEMBL
CHEMBL134348- ChEBI
CHEBI:211253- UNII
- 365FJ23A8Z
- EC Number
- 214-327-3
- Nikkaji
- J141.788F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Physicochemical properties
- Melting point
- 168 · 168-169 °C (lit.)
- Boiling point
- 204.59 °C · 204.59°C (rough estimate)
- Density
- 1.1143 · 1.1143 (rough estimate)
- refractive index
- 1.504 · 1.5040 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO, Methanol
- form
- Powder
- pka
- 10.38 · 10.38±0.10(Predicted)
- color
- Beige-brown
- BRN
- 107937 · 107937
- InChI
- InChI=1S/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3
- InChIKey
- AQSRRZGQRFFFGS-UHFFFAOYSA-N
- SMILES
- C1(C)=NC=CC=C1O
- LogP
- 0.314 · 0.314 (est)
- CAS DataBase Reference
- 1121 · 1121-25-1(CAS DataBase Reference)
- FDA UNII
- 365 FJ23A8Z · 365FJ23A8Z
- NIST Chemistry Reference
- 3 · 3-Pyridinol, 2-methyl-(1121-25-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38
- Safety Statements
- 26 · 26-37/39-36/37/39-36
- WGK Germany
- 3 · 3
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Pyridinol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-37/39-36/37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses3-Hydroxy-2-methylpyridine was used in the synthesis of pyrimidine.
General DescriptionVitamin B6 is an active 3-hydroxy-2-methylpyridine derivative.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
121 records
Compound notes
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