CAS 42097-42-7 3-Hydroxy-2-hydroxymethyl-6-methylpyridine (HCID 135128)

Overview

2-(Hydroxymethyl)-6-methylpyridin-3-ol is a member of methylpyridines.

Names & identifiers

Preferred name: 3-Hydroxy-2-hydroxymethyl-6-methylpyridine
IUPAC: 2-(hydroxymethyl)-6-methylpyridin-3-ol
English name: 3-Hydroxy-6-methyl-2-pyridinemethanol
Molecular formula: C7H9NO2
Molecular weight: 139.15

Names & synonyms

42097-42-73-Hydroxy-6-methyl-2-pyridinemethanol3-Hydroxy-2-hydroxymethyl-6-methylpyridine53GWV75WPC2-Pyridinemethanol, 3-hydroxy-6-methyl-EINECS 255-657-8DTXSID80194931RefChem:502330DTXCID20117422255-657-82-(hydroxymethyl)-6-methylpyridin-3-olMFCD00006350

Show more names

2,6-LUTIDINE-ALPHA2,3-DIOLTIMTEC-BB SBB0041772,6-Lutidine-α,3-diol2,6-lutidine-α2,3-diol2,6-Lutidine-α2,3-diol2,6-Lutidine-alpha2,3-diol,99%2,6-LUTIDINE-ALPHA-2,3-DIOL 99%2,6-lutidine-alpha(sup 2),3-diol6-methyl-2-methylol-pyridin-3-ol

2-Hydroxymethyl-6-methyl-pyridin-3-ol2-(hydroxymethyl)-6-methyl-3-pyridinol2-(hydroxymethyl)-6-methyl-pyridin-3-ol3-Hydroxy-6-methyl3-Hydroxy-6-methyl-2-pyridine methanolUNII-53GWV75WPCOprea1_5207802,6-Lutidine-?2,3-diol

Database identifiers

CAS: 42097-42-7
PubChem CID: 135128
DTXSID: DTXSID80194931
ChEMBL: CHEMBL1579537
ChEBI: CHEBI:194822
UNII: 53GWV75WPC
EC Number: 255-657-8
Nikkaji: J278.330D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

Solubility>20.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 157 · 157-159 °C(lit.)
Boiling point: 255.1 °C · 255.1°C (rough estimate)
Density: 1.1997 · 1.1997 (rough estimate)
refractive index: 1.48 · 1.4800 (estimate)
storage temp.: Inert atmosphere,Room Temperature
pka: 13.79 · 13.79±0.10(Predicted)
form: Crystalline Powder
color: Beige to light brown
InChI: 1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
InChIKey: PAGTXDLKXRBHFL-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(CO)n1
CAS DataBase Reference: 42097 · 42097-42-7(CAS DataBase Reference)
FDA UNII: 53 GWV75WPC · 53GWV75WPC
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
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 · 2 items

Uses2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) was used in the synthesis of: (3-hydroxy-6-methylpyridin-2-yl)methyl pivaloatetriflate(3-(allyloxy)-6-methylpyridin-2-yl)methanol

General Description2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) on condensation with chlorides of carbamidophosphoric acids yields N-Substituted N′-[6-methyl-2-oxido-1,3,2-dioxaphosphinino(5,4,-b)pyridine-2-yl]urea. It forms organotin (IV) complexes on reaction with dimethyl-, diethyl- and dibutyltin (IV) oxide.