Home Other Building Blocks 2,6-Bis(hydroxymethyl)-p-cresol

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

CAS No.:
91-04-3
Catalog Number:
AG00330U
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$57
- +
100g
95%
In Stock USA
United States
$125
- +
500g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00330U
Chemical Name:
2,6-Bis(hydroxymethyl)-p-cresol
CAS Number:
91-04-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00004619
IUPAC Name:
2,6-bis(hydroxymethyl)-4-methylphenol
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
SMILES:
OCc1cc(C)cc(c1O)CO
EC Number:
202-036-4
UNII:
Q99HT08S5N
NSC Number:
15838
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
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 20101117
Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets. Inorganic chemistry 20090420
A nontwisted, ferromagnetically coupled Mn(III)3O triangular complex from the use of 2,6-bis(hydroxymethyl)-p-cresol. Inorganic chemistry 20090202
Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-R-phenol, with R = methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl. Acta crystallographica. Section C, Crystal structure communications 20020901
Molecular recognition of titanium(IV) alkoxides by 2,6-bis(hydroxymethyl)-p-cresol in the crystal engineering of hybrid organic-inorganic networks. Journal of the American Chemical Society 20010613
Properties