(2,6-Dimethylpyridin-3-yl)methanol

HCID 2784752

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Basic information

CAS: 582303-10-4
Standard SMILES: Cc1ccc(CO)c(C)n1
InChIKey: AGGDOLFSEUKNKM-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: (2,6-Dimethylpyridin-3-yl)methanol
IUPAC: (2,6-dimethyl-3-pyridinyl)methanol
English name: 3-Pyridinemethanol,2,6-dimethyl-(9CI)
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

(2,6-dimethylpyridin-3-yl)methanol582303-10-4(2,6-Dimethyl-pyridin-3-yl)-methanolMFCD032657793-Pyridinemethanol,2,6-dimethyl-(9CI)(2,6-Dimethyl-3-pyridyl)methanol(2,6-dimethyl-3-pyridinyl)methanol(2,6-dimethylpyridin-3-yl)methanol, SBB054783, 582303-10-4, SureCN957406, AC1MD73A, CTK6C4003, MolPort-002-043-231, ZINC03953296, (2,6-Dimethylpyridin-3-yl)-methanol, AKOS012126048, (2,6-dimethyl-3-pyridyl)methan-1-ol, AG-B-73861, QC-9482, KB-00969, FT-0690259SCHEMBL957406SCHEMBL29674415DTXSID20382810AGGDOLFSEUKNKM-UHFFFAOYSA-N

Show more names

2,6-Dimethyl-3-pyridinemethanol3-Pyridinemethanol, 2,6-dimethyl-(2,6-dimethyl-pyridine-3-yl)methanol

HYA30310SBB054783AKOS012126048(2,6-dimethyl-3-pyridyl)methan-1-olSB377905-(hydroxymethyl)-2,6-dimethyl-pyridineSY239740TS-01775

Database identifiers

CAS: 582303-10-4
PubChem CID: 2784752
DTXSID: DTXSID20382810

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 245.4 · 245.4±35.0 °C(Predicted)
Density: 1.063 · 1.063±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.73 · 13.73±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501