2,6-Bis(hydroxymethyl)-p-cresol

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Catalog Number Size Price Stock Quantity
B1370-331577 1 kg $399 In stock
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Product Information

Molecular Formula:
C9H12O3
Molecular Weight:
168.19
Description
2,6-Bis(hydroxymethyl)-p-cresol is a useful research chemical.
Synonyms
2,6-Dimethylol-p-cresol; (2-Hydroxy-5-methyl-1,3-phenylene)dimethanol
IUPAC Name
2,6-bis(hydroxymethyl)-4-methylphenol
Canonical SMILES
CC1=CC(=C(C(=C1)CO)O)CO
InChI
InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
InChI Key
KUMMBDBTERQYCG-UHFFFAOYSA-N
Boiling Point
333.3 °C at 760 mmHg
Melting Point
126 °C
Purity
> 98.0 % (GC)
Density
1.276 g/cm3
Appearance
White to yellow to orange powder to crystal
LogP
0.68520

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
0.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
168.078644241 g/mol
Monoisotopic Mass
168.078644241 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
124
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Calculate
The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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