Benzenemethanol,4-hydroxy-2,6-dimethyl- supplier

Name
4-HYDROXY-2,6-DIMETHYL-BENZENEMETHANOL
EINECS
CAS No. 28636-93-3
Article Data1
CAS DataBase
Density 1.133 g/cm³
Solubility
Melting Point 174-175 °C
Formula C₉H₁₂O₂
Boiling Point 319.8 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 159.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, 4-hydroxy-2,6-dimethyl- (7CI,8CI);4-Hydroxy-2,6-dimethyl-benzenemethanol;4-Hydroxy-2,6-Dimethyl-Benzene;
PSA 40.46000
LogP 1.50130

Benzenemethanol,4-hydroxy-2,6-dimethyl- Specification

The CAS register number of Benzenemethanol,4-hydroxy-2,6-dimethyl- is 28636-93-3. It also can be called as 4-Hydroxy-2,6-Dimethyl-Benzene and the systematic name about this chemical is 4-(hydroxymethyl)-3,5-dimethylphenol. The molecular formula about this chemical is C₉H₁₂O₂ and the molecular weight is 152.19.

Physical properties about Benzenemethanol,4-hydroxy-2,6-dimethyl- are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 4.97; (5)ACD/BCF (pH 7.4): 4.95; (6)ACD/KOC (pH 5.5): 109.6; (7)ACD/KOC (pH 7.4): 109.35; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 44.23 cm³; (14)Molar Volume: 134.2 cm³; (15)Polarizability: 17.53x10^-24cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.133 g/cm³; (18)Flash Point: 159.5 °C; (19)Enthalpy of Vaporization: 59.27 kJ/mol; (20)Boiling Point: 319.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000137 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-hydroxy-2,6-dimethyl-benzaldehyde. This reaction will need reagent of NaBH₄ and solvent of aq. ethanol. The reaction time is 4 hours with reaction temperature of 0 °C. The yield is about 92%.

Benzenemethanol,4-hydroxy-2,6-dimethyl- can be prepared by 4-hydroxy-2,6-dimethyl-benzaldehyde.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(c(c(c1)C)CO)C
(2)InChI: InChI=1/C9H12O2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,10-11H,5H2,1-2H3
(3)InChIKey: NUFXUDNVOYVQGI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H12O2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,10-11H,5H2,1-2H3
(5)Std. InChIKey: NUFXUDNVOYVQGI-UHFFFAOYSA-N

Product Name

4-HYDROXY-2,6-DIMETHYL-BENZENEMETHANOL

Benzenemethanol,4-hydroxy-2,6-dimethyl- Specification

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