CAS No.484-66-2,2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	484-66-2
Name:	2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL
Article Data:	31

Formula:	C₁₂H₁₈O
Molecular Weight:	178.274
Synonyms:	Benzylalcohol, 2,3,4,5,6-pentamethyl- (6CI,7CI,8CI);(Pentamethylphenyl)methanol;2,3,4,5,6-Pentamethylbenzyl alcohol;Pentamethylbenzenemethanol;Pentamethylbenzyl alcohol;
EINECS:	207-609-2
Density:	0.965 g/cm³
Melting Point:	159-163 °C(lit.)
Boiling Point:	256 °C at 760 mmHg
Flash Point:	116 °C
Appearance:	white crystalline powder
Safety:	24/25
PSA:	20.23000
LogP:	2.72090

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Specification

The cas register number of 2,3,4,5,6-Pentamethylbenzyl alcohol is 484-66-2. It also can be called as Benzenemethanol,2,3,4,5,6-pentamethyl- and the IUPAC Name about this chemical is (2,3,4,5,6-pentamethylphenyl)methanol. It belongs to the following product categories, such as Benzhydrols, Benzyl & Special Alcohols, Alcohols, C₉ to C₃₀, Oxygen Compounds and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 2,3,4,5,6-Pentamethylbenzyl alcohol are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 201.64; (5)ACD/BCF (pH 7.4): 201.64; (6)ACD/KOC (pH 5.5): 1553.18; (7)ACD/KOC (pH 7.4): 1553.18; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 56.82 cm³; (14)Molar Volume: 184.6 cm³; (15)Polarizability: 22.52x10^-24cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 52.14 kJ/mol; (18)Vapour Pressure: 0.00816 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3,4,5,6-pentamethyl-benzyl chloride. This reaction will need reagent AgNO₃, H₂O and solvent acetone. The reaction time is 3 hour(s) at Ambient temperature. The yield is about 100 %.

Uses of 2,3,4,5,6-Pentamethylbenzyl alcohol: it can be used to produce (Phenyl)-(pentamethylbenzyl)-sulfid with diphenyldisulfane at Heating. This reaction will need reagent diphosphorus tetraiodide and solvent benzene with reaction time of 9 hours. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C(=C1C)C)CO)C)C
(2)InChI: InChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3
(3)InChIKey: CMBCAWNOBIGGTE-UHFFFAOYSA-N