CAS 3279-76-3 6-Methylpyridin-2-ol (HCID 76772)

Names & identifiers

Preferred name: 6-Methylpyridin-2-ol
IUPAC: 6-methyl-1H-pyridin-2-one
English name: 2-Hydroxy-6-methylpyridine
Molecular formula: C6H7NO
Molecular weight: 109.13

Names & synonyms

6-Methylpyridin-2-ol2(1H)-Pyridinone, 6-methyl-6-MethylpyridinoneTN77J7TM32EINECS 221-919-5NSC 75619NSC-75619DTXSID40954452RefChem:544032DTXCID701256528221-919-52-Hydroxy-6-methylpyridine

Show more names

2(1H)-Pyridone, 6-methyl-6-Methyl-2(1H)-pAKOS BBS-00002969TIMTEC-BB SBB0043452-Methyl-6-pyridone6-Methyl-2H-pyridone6-Hydroxy-α-picoline

3279-76-36-methylpyridin-2(1H)-one91914-07-76-Methyl-2-pyridinol6-methyl-1H-pyridin-2-one6-Methyl-2-pyridone6-Methyl-2-pyridinone6-Methyl-2-hydroxypyridine

Database identifiers

CAS: 3279-76-3、73229-70-6
PubChem CID: 76772
DTXSID: DTXSID40954452
UNII: TN77J7TM32
EC Number: 221-919-5
Nikkaji: J110.371G

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 157 · 157-159 °C (lit.)
Boiling point: 131 · 131-133C
Density: 1.1143 · 1.1143 (rough estimate)
refractive index: 1.504 · 1.5040 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 12.12 · 12.12±0.10(Predicted)
color: White to cream
BRN: 107073 · 107073
InChI: InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=CC=C1
CAS DataBase Reference: 3279 · 3279-76-3(CAS DataBase Reference)
FDA UNII: 77 J7TM32 · TN77J7TM32
NIST Chemistry Reference: 2 · 2(1H)-Pyridinone, 6-methyl-(3279-76-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-40
Safety Statements: 26 · 26-36-22
WGK Germany: 3 · 3
F: 10 · 10
HazardClass: IRRITANT
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.；There are 6 notifications provided by 46 of 47 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.7%)

Safety data

F: 10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-40
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-22
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Hydroxy-6-methylpyridine reacts with carboxylic acids RCOOH to give an equilibrium mixture of products M(2)(O(2)CR)(n)(mhp)(4-n) where R = 2-thienyl and phenyl. mhp is the anion formed from deprotonation of 2-hydroxy-6-methylpyridine.

General Description2-Hydroxy-6-methylpyridine reacts with carboxylic acids RCOOH to give an equilibrium mixture of products M(2)(O(2)CR)(n)(mhp)(4-n) where R = 2-thienyl and phenyl. mhp is the anion formed from deprotonation of 2-hydroxy-6-methylpyridine.