2,6-Bis(hydroxymethyl)-p-cresol - CAS 91-04-3
Catalog:
BB040029
Product Name:
2,6-Bis(hydroxymethyl)-p-cresol
CAS:
91-04-3
Synonyms:
2,6-Dimethylol-p-cresol; (2-Hydroxy-5-methyl-1,3-phenylene)dimethanol
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BB040029
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IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol
Description: 2,6-Bis(hydroxymethyl)-p-cresol is a useful research chemical.
Molecular Weight: 168.19
Molecular Formula: C9H12O3
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
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/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
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PMID Publication Date Title Journal
21923087 20111017 Syntheses, structures, and magnetic properties of a family of tetra-, hexa-, and nonanuclear Mn/Ni heterometallic clusters Inorganic chemistry
20964328 20101117 Single crystal-to-single crystal irreversible transformation from a discrete vanadium(V)-alcoholate to an aldehydic-vanadium(IV) oligomer Journal of the American Chemical Society
20878813 20101115 Magnetothermal studies of a series of coordination clusters built from ferromagnetically coupled {Mn(II) (4)Mn(III) (6)} supertetrahedral units Chemistry (Weinheim an der Bergstrasse, Germany)
19364123 20090420 Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets Inorganic chemistry
19166363 20090202 A nontwisted, ferromagnetically coupled Mn(III)3O triangular complex from the use of 2,6-bis(hydroxymethyl)-p-cresol Inorganic chemistry
Complexity: 124
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 168.078644241
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 3
Isotope Atom Count: 0
Monoisotopic Mass: 168.078644241
Rotatable Bond Count: 2
Topological Polar Surface Area: 60.7 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.7
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