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Name |
1,4-Benzenedimethanol,2,3,5,6-tetramethyl- |
EINECS | 231-382-9 |
CAS No. | 7522-62-5 | Density | 1.066 g/cm3 |
PSA | 40.46000 | LogP | 1.90480 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 9 |
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