2,6-Dimethyl-3-pyridinol

HCID 70732CAS 1122-43-6

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(O)c(C)n1
InChIKey: AMQJAKKATFMFTR-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 2,6-Dimethyl-3-pyridinol
IUPAC: 2,6-dimethylpyridin-3-ol
English name: 2,6-DIMETHYL-3-HYDROXYPYRIDINE
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

1122-43-62,6-Dimethyl-3-pyridinol2,6-Dimethyl-3-oxypyridine7Z5V74623SNSC-164026DTXSID801499462,6-dimethyl pyridinolRefChem:83288DTXCID0072437214-348-82,6-Dimethyl-3-hydroxypyridine2,6-Dimethylpyridin-3-ol

Show more names

3-HYDROXY-2,6-LUTIDINE2,6-dimethyl-3-pyridino2,6-DIMETHYLPYRIDINE-3-OL2,6-Dimethylpyridin-3-ol, 3-Hydroxy-2,6-lutidine2,6-DIMETHYL-3-HYDROXYPYRIDINE ISO 9001：2015 REACH

3-Pyridinol, 2,6-dimethyl-3-Hydroxy-2,6-dimethylpyridineMFCD00228692EINECS 214-348-82,6-Dimethyl-pyridin-3-olNSC 164026BRN 0111008UNII-7Z5V74623S

Database identifiers

CAS: 1122-43-6
PubChem CID: 70732
DTXSID: DTXSID80149946
UNII: 7Z5V74623S
EC Number: 214-348-8
Nikkaji: J31.356D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 210 · 210-212°C
Boiling point: 278.9 · 278.9±35.0 °C(Predicted)
Density: 1.083 · 1.083±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
form: Solid
pka: 10.72 · 10.72±0.10(Predicted)
color: Pale Yellow to Pale Beige
CAS DataBase Reference: 1122 · 1122-43-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 Z5V74623S · 7Z5V74623S
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
Hazard Note: Irritant
HS Code: 2933399990 · 2933399990
Toxicity: 50 · mammal (species unspecified),LD50,unreported,675mg/kg (675mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Pharmaceutical Chemistry Journal Vol. 16, Pg. 259, 1982.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

hs_code: 2933399990
Toxicity: mammal (species unspecified),LD50,unreported,675mg/kg (675mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Pharmaceutical Chemistry Journal Vol. 16, Pg. 259, 1982.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280