CAS No.472-41-3,p-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	472-41-3
Name:	p-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol
Article Data:	3

Formula:	C₁₈H₂₀O₂
Molecular Weight:	268.356
Synonyms:	4-(2,2,4-Trimethyl-3,4-dihydro-2H-chromen-4-yl)phenol;
EINECS:	207-450-9
Density:	1.087 g/cm³
Melting Point:	140℃
Boiling Point:	390.7 °C at 760 mmHg
Flash Point:	166.7 °C
PSA:	29.46000
LogP:	4.25930

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Specification

The Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-, with the CAS registry number 472-41-3, is also known as 4-(2,2,4-Trimethyl-3,4-dihydro-2H-chromen-4-yl)phenol. Its EINECS registry number is 207-450-9. This chemical's molecular formula is C₁₈H₂₀O₂ and molecular weight is 268.3502. What's more, its IUPAC name is 4-(2,2,4-Trimethyl-3H-chromen-4-yl)phenol.

Physical properties about Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)- are: (1)ACD/LogP: 5.05; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4075.81; (6)ACD/BCF (pH 7.4): 4066.08; (7)ACD/KOC (pH 5.5): 13359.2; (8)ACD/KOC (pH 7.4): 13327.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 80.29 cm³; (15)Molar Volume: 246.7 cm³; (16)Polarizability: 31.83×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.087 g/cm³; (19)Flash Point: 166.7 °C; (20)Enthalpy of Vaporization: 66.52 kJ/mol; (21)Boiling Point: 390.7 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-06 mmHg at 25 °C.

Preparation of Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-: this chemical can be prepared by Phenol and 4-Methyl-pent-3-en-2-one. This reaction needs reagent HBr and solvent H₂O. The yield is 60%.

Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)- can be prepared by Phenol and 4-Methyl-pent-3-en-2-one.

Use of Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-: it can react with N,N-Dimethyl-formamide to give 4-(3-Formyl-4-hydroxyphenyl)-2,2,4-trimethylchroman. The reaction occurs with reagent POCl₃ and other condition of heating for 4 hours. The yield is 38.6%.

Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)- can react with N,N-Dimethyl-formamide to give 4-(3-Formyl-4-hydroxyphenyl)-2,2,4-trimethylchroman.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)C2(c3c(OC(C2)(C)C)cccc3)C
(2) InChI: InChI=1/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3
(3) InChIKey: KXYDGGNWZUHESZ-UHFFFAOYAP