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

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Name

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

EINECS N/A
CAS No. 28636-93-3 Density 1.133 g/cm3
PSA 40.46000 LogP 1.50130
Solubility N/A 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 N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28636-93-3 (4-HYDROXY-2,6-DIMETHYL-BENZENEMETHANOL) Hazard Symbols N/A
Synonyms

Benzylalcohol, 4-hydroxy-2,6-dimethyl- (7CI,8CI);4-Hydroxy-2,6-dimethyl-benzenemethanol;4-Hydroxy-2,6-Dimethyl-Benzene;

Article Data 1

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

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