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
- Molecular Weight:
- 168.19
- MDL Number:
- MFCD00004619
- MOL File:
- 91-04-3.mol
- MSDS File:
- SDS
| 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) |
| EWG's Food Scores | 1 |
| FDA UNII | Q99HT08S5N |
| 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) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704 |
|
2,6-Bis(hydroxymethyl)-p-cresol price More Price(29)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 227528 | 2,6-Bis(hydroxymethyl)-p-cresol 95% | 91-04-3 | 25g | $41.16 | 2024-03-01 | Buy |
| Sigma-Aldrich | 227528 | 2,6-Bis(hydroxymethyl)-p-cresol 95% | 91-04-3 | 100g | $66.4 | 2024-03-01 | Buy |
| TCI Chemical | B1525 | 2,6-Bis(hydroxymethyl)-p-cresol >98.0%(GC) | 91-04-3 | 25g | $69 | 2024-03-01 | Buy |
| TCI Chemical | B1525 | 2,6-Bis(hydroxymethyl)-p-cresol >98.0%(GC) | 91-04-3 | 250g | $363 | 2024-03-01 | Buy |
| Alfa Aesar | A17369 | 2,6-Bis(hydroxymethyl)-p-cresol, tech. 90% | 91-04-3 | 25g | $41.65 | 2024-03-01 | Buy |
2,6-Bis(hydroxymethyl)-p-cresol Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
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| Dayang Chem (Hangzhou) Co.,Ltd. | 571-88938639 +8617705817739 | info@dycnchem.com | China | 52849 | 58 |
| Shanghai Tianqing Chemicals Co., Ltd. | +8613816254020 | penny.xu@tianqing-chem.com | China | 540 | 58 |
View Lastest Price from 2,6-Bis(hydroxymethyl)-p-cresol manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-07-06 | 2,6-Bis(hydroxymethyl)-p-cresol
91-04-3
|
US $1.00 / KG | 1KG | 98% | 100KG | Career Henan Chemical Co |
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- 2,6-Bis(hydroxymethyl)-p-cresol
91-04-3
- US $1.00 / KG
- 98%
- Career Henan Chemical Co