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.

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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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91-04-3

1991-04-03

CH3C6H2CH2OH2OH

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