1,4-Benzenedimethanol,2,3,5,6-tetramethyl- supplier

Name
2,3,5,6-TETRAMETHYL-P-XYLENE-ALPHA,ALPHA'-DIOL
EINECS 231-382-9
CAS No. 7522-62-5
Article Data9
CAS DataBase
Density 1.066 g/cm³
Solubility
Melting Point 246-248 °C(lit.)
Formula C₁₂H₁₈O₂
Boiling Point 362.9 °C at 760 mmHg
Molecular Weight 194.274
Flash Point 175 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Xylene-a,a'-diol, 2,3,5,6-tetramethyl- (6CI,7CI,8CI);1,4-Bis(hydroxymethyl)-2,3,5,6-tetramethylbenzene;2,3,5,6-Tetramethyl-p-xylene-a,a'-diol;2,3,5,6-Tetramethylbenzene-1,4-dimethanol;NSC158279;
PSA 40.46000
LogP 1.90480

1,4-Benzenedimethanol,2,3,5,6-tetramethyl- Specification

The 1,4-Benzenedimethanol,2,3,5,6-tetramethyl- is an organic compound with the formula C₁₂H₁₈O₂. The IUPAC name of this chemical is [4-(hydroxymethyl)-2,3,5,6-tetramethylphenyl]methanol. With the CAS registry number 7522-62-5, it is also named as Bis(hydroxymethyl)durene. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1,4-Benzenedimethanol,2,3,5,6-tetramethyl- are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.36; (5)ACD/BCF (pH 7.4): 11.36; (6)ACD/KOC (pH 5.5): 198.16; (7)ACD/KOC (pH 7.4): 198.16; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 58.45 cm³; (14)Molar Volume: 182.1 cm³; (15)Polarizability: 23.17×10^-24cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.066 g/cm³; (18)Flash Point: 175 °C; (19)Enthalpy of Vaporization: 64.25 kJ/mol; (20)Boiling Point: 362.9 °C at 760 mmHg; (21)Vapour Pressure: 6.65E-06 mmHg at 25°C.

Uses of 1,4-Benzenedimethanol,2,3,5,6-tetramethyl-: it can be used to produce 4-methyl-benzenesulfinic acid 4-hydroxymethyl-2,3,5,6-tetramethyl-benzyl ester. It will need reagent 1,1'-carbonyldiimidazole and solvent CH₂Cl₂ with reaction time of 2 hours. The yield is about 53%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(c(c(c(c1C)C)CO)C)C
(2)InChI: InChI=1/C12H18O2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h13-14H,5-6H2,1-4H3
(3)InChIKey: KDJOOHBQJRVMIX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H18O2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h13-14H,5-6H2,1-4H3
(5)Std. InChIKey: KDJOOHBQJRVMIX-UHFFFAOYSA

Product Name

2,3,5,6-TETRAMETHYL-P-XYLENE-ALPHA,ALPHA'-DIOL

1,4-Benzenedimethanol,2,3,5,6-tetramethyl- Specification

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