2,4-BIS(ALPHA,ALPHA-DIMETHYLBENZYL)PHENOL

The Phenol,2,4-bis(1-methyl-1-phenylethyl)-, with the CAS registry number 2772-45-4, is also known as 2,4-Bis(alpha,alpha-dimethylbenzyl)phenol. It belongs to the product categories of Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS number is 220-466-0. This chemical's molecular formula is C₂₄H₂₆O and molecular weight is 330.46. What's more, its IUPAC name is 2,4-bis(2-phenylpropan-2-yl)phenol. It should be sealed and stored in a cool and dry place.

Physical properties of Phenol,2,4-bis(1-methyl-1-phenylethyl)- are: (1)ACD/LogP: 6.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.85; (4)ACD/BCF (pH 5.5): 95160.87; (5)ACD/BCF (pH 7.4): 94937.85; (6)ACD/KOC (pH 5.5): 127396.05; (7)ACD/KOC (pH 7.4): 127097.48; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 104.43 cm³; (14)Molar Volume: 314.4 cm³; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.051 g/cm³; (17)Flash Point: 204.9 °C; (18)Enthalpy of Vaporization: 72.53 kJ/mol; (19)Boiling Point: 441.1 °C at 760 mmHg; (20)Vapour Pressure: 2.15E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-oxy-1-phenyl-hexane at the temperature of 135 °C. This reaction will need reagent aluminium with the reaction time of 3 hours. The yield is about 46.5%.

Uses of Phenol,2,4-bis(1-methyl-1-phenylethyl)-: it can be used to produce 2,4-bis-(1-methyl-1-phenyl-ethyl)-6-nitro-phenol at the temperature of -10 - -5 °C. It will need need reagent sodium nitrite, conc. H₂SO₄ with the reaction time of 15 min. The yield is about 66%.

When you are using this chemical, please be cautious about it as the following:
You must take off immediately all contaminated clothing. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3
(2)InChI: InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3
(3)InChIKey: FMUYQRFTLHAARI-UHFFFAOYSA-N