| Identification | More | [Name]
2,6-Bis(hydroxymethyl)-p-cresol | [CAS]
91-04-3 | [Synonyms]
2,6-BIS(HYDROXYMETHYL)-4-CRESOL
2,6-BIS(HYDROXYMETHYL)-4-METHYLPHENOL
2,6-BIS(HYDROXYMETHYL)-P-CRESOL
2,6-DI(HYDROXYMETHYL)-4-METHYLPHENOL
2,6-DIMETHYLOL-P-CRESOL
2-HYDROXY-5-METHYL-1,3-BENZENEDIMETHANOL
AKOS BBS-00000256
AKOS BC-1882
RARECHEM AL BD 0246
1,3-Benzenedimethanol, 2-hydroxy-5-methyl-
2,6-Di(hydroxymethyl)-p-cresol
2,6-Dimethylol-4-methylphenol
2-hydroxy-5-methyl-3-benzenedimethanol
3-Benzenedimethanol,2-hydroxy-5-methyl-1
4-Methyl-2,6-bis(hydroxymethyl)-phenol
Adimethyl1,adimethyl3-mesityllenediol, 2-hydroxy-
alpha(sup1),alpha(sup3),2-trihydroxymesitylene
alpha(sup3)-mesitylenediol,2-hydroxy-alpha(sup1
alpha1,alpha3,2-Trihydroxymesitylene
alpha1,alpha3-Mesitylenediol, 2-hydroxy- | [EINECS(EC#)]
202-036-4 | [Molecular Formula]
C9H12O3 | [MDL Number]
MFCD00004619 | [Molecular Weight]
168.19 | [MOL File]
91-04-3.mol |
| Chemical Properties | Back Directory | [Appearance]
yellowish-brown to brown crystalline powder | [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]
91-04-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
CZ6440000 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29072990 |
| Hazard Information | Back Directory | [Chemical Properties]
brown crystalline powder | [Uses]
2,6-Bis(hydroxymethyl)-p-cresol(91-04-3) 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. |
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