ChemicalBook > CAS DataBase List > 2,6-Bis(hydroxymethyl)-p-cresol

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

Product Name
2,6-Bis(hydroxymethyl)-p-cresol
CAS No.
91-04-3
Chemical Name
2,6-Bis(hydroxymethyl)-p-cresol
Synonyms
(2-Hydroxy-5-Methyl-1,3-phenylene)diMethanol;2,6-BIS(HYDROXYMETHYL)-4-CRESOL;3,5-bis(hydroxymethyl)-p-cresol;2,6-BIS(HYDROXYMETHYL)-4-METHYLPHENOL;1,3-Benzenedimethanol, 2-hydroxy-5-methyl-;AKOS BC-1882;AKOS BBS-00000256;RARECHEM AL BD 0246;2,6-DIMETHYLOL-P-CRESOL;2,6-Dimethylol-4-methylphenol
CBNumber
CB1468885
Molecular Formula
C9H12O3
Formula Weight
168.19
MOL File
91-04-3.mol
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2,6-Bis(hydroxymethyl)-p-cresol Property

Melting point:
128-130 °C(lit.)
Boiling point:
237.12°C (rough estimate)
Density 
1.0812 (rough estimate)
vapor density 
5.8 (vs air)
refractive index 
1.4371 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
very faint turbidity in THF
form 
powder to crystal
pka
10.20±0.23(Predicted)
color 
White to Yellow to Orange
BRN 
1240237
InChI
InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
InChIKey
KUMMBDBTERQYCG-UHFFFAOYSA-N
SMILES
C1(CO)=CC(C)=CC(CO)=C1O
CAS DataBase Reference
91-04-3(CAS DataBase Reference)
NIST Chemistry Reference
A1,a3-mesityllenediol, 2-hydroxy-(91-04-3)
EPA Substance Registry System
1,3-Benzenedimethanol, 2-hydroxy-5-methyl- (91-04-3)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
WGK Germany 
3
RTECS 
CZ6440000
Hazard Note 
Irritant
TSCA 
Yes
HS Code 
29072990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
227528
Product name
2,6-Bis(hydroxymethyl)-p-cresol
Purity
95%
Packaging
25g
Price
$41.16
Updated
2024/03/01
Sigma-Aldrich
Product number
227528
Product name
2,6-Bis(hydroxymethyl)-p-cresol
Purity
95%
Packaging
100g
Price
$66.4
Updated
2024/03/01
TCI Chemical
Product number
B1525
Product name
2,6-Bis(hydroxymethyl)-p-cresol
Purity
>98.0%(GC)
Packaging
25g
Price
$69
Updated
2024/03/01
TCI Chemical
Product number
B1525
Product name
2,6-Bis(hydroxymethyl)-p-cresol
Purity
>98.0%(GC)
Packaging
250g
Price
$363
Updated
2024/03/01
Alfa Aesar
Product number
A17369
Product name
2,6-Bis(hydroxymethyl)-p-cresol, tech. 90%
Packaging
25g
Price
$41.65
Updated
2024/03/01
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2,6-Bis(hydroxymethyl)-p-cresol Chemical Properties,Usage,Production

Chemical Properties

brown crystalline powder

Uses

2,6-Bis(hydroxymethyl)-p-cresol was used as a bridging ligand in binuclear oxovanadium(V) compound, which on exposure to white light and aerial oxygen forms an oligomeric compound.

Preparation

The synthesis method for 2,6-Bis(hydroxymethyl)-p-cresol is as follows:
Aqueous formaldehyde (21.5 g, 37%) is added to a solution of p-cresol (10.8 g, 0.1 mol) and NaOH (5.0 g) in HO (20 mL).
The mixture is stirred at room temperature for 24 hours.
The mixture is filtered and washed with saturated aqueous NaCl (100 mL).
The resulting salt is dissolved in water (400 mL) and neutralized with acetic acid.
Pale pink crystals are obtained and filtered.
The crystals are washed with H2O and dissolved in hot ethyl acetate (40 mL).
The solution is dried over Na2SO4 and filtered while still hot.
The solution is concentrated to 27 mL and recrystallized overnight.
The product crystals are filtered and washed with cold ethyl acetate.
The crystals are air dried.

Properties and Applications

Rammal et al. report the study on the reaction between titanium(IV) alkoxides, known to be tetrameric [Ti4- (OR)16] (1) in the solid state, and an aromatic ligand such as 2,6-bis(hydroxymethyl)-p-cresol (BHMPC 2). Starting from the same planar tetrameric structure, a perfect geometrical match between octahedral edges of (1) and hydroxo moieties of (2) could be anticipated. Upon reaction of the ligand (2) with Ti(OEt)4, a new complex for which the tetrameric structure of (1) was preserved but with all edges occupied by sic molecules of (2) was obtained. The inorganic core of this tetranuclear complex (3) is composed of two μ3-oxo groups bridging the four titanium atoms. The tetranuclear titanium core is surrounded by six ligands (2) acting in groups of two, either as chelating, chelating-bridging, or tridentate units[1].

References

[1] Adel Rammal, Marc Henry, Frédéric Brisach. “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 123 23 (2001): 5612–5613.

2,6-Bis(hydroxymethyl)-p-cresol Preparation Products And Raw materials

Raw materials

Preparation Products

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

Americas 1 Australia 1 Belgium 3 Canada 1 China 99 Europe 1 France 4 Germany 7 India 4 Japan 9 Switzerland 1 The Netherlands 1 United Kingdom 14 United States 32 Global 178
TOKYO CHEMICAL INDUSTRY CO., LTD.
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View Lastest Price from 2,6-Bis(hydroxymethyl)-p-cresol manufacturers

Career Henan Chemical Co
Product
2,6-Bis(hydroxymethyl)-p-cresol 91-04-3
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
100KG
Release date
2018-08-09

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