3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane supplier

Name
1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene
EINECS
CAS No. 4468-39-7
Density 0.993 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₈O₂
Boiling Point 415.1 °C at 760 mmHg
Molecular Weight 312.44582
Flash Point 143 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene, 1,1-(1,2-diethyl-1,3-propanediyl)bis(4-methoxy- (9CI);3-06-00-05532 (Beilstein Handbook Reference);HEXANE, 3-(p-METHOXYBENZYL)-4-(p-METHOXYPHENYL)-;Compound 77/735;CDRI 77/735;3-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]hexane;BENZENE, 1,1′-(1,2-DIETHYL-1,3-PROPANEDIYL)BIS(4-METHOXY-;
PSA
LogP

3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane Specification

This chemical is called 3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane, and its IUPAC name is 1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene. With the molecular formula of C₂₁H₂₈O₂, its molecular weight is 312.44582. The CAS registry number of this chemical is 4468-39-7, and its classification code is Reproductive Effect.

Other characteristics of the 3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane can be summarised as followings: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.67; (4)ACD/LogD (pH 7.4): 6.67; (5)ACD/BCF (pH 5.5): 69425.78; (6)ACD/BCF (pH 7.4): 69425.78; (7)ACD/KOC (pH 5.5): 101657.9; (8)ACD/KOC (pH 7.4): 101657.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 96.77 cm³; (15)Molar Volume: 314.6 cm³; (16)Polarizability: 38.36×10^-24cm³; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.993 g/cm³; (19)Flash Point: 143 °C; (20)Enthalpy of Vaporization: 64.22 kJ/mol; (21)Boiling Point: 415.1 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(cc1)C(CC)C(Cc2ccc(OC)cc2)CC)C
2.InChI: InChI=1/C21H28O2/c1-5-17(15-16-7-11-19(22-3)12-8-16)21(6-2)18-9-13-20(23-4)14-10-18/h7-14,17,21H,5-6,15H2,1-4H3
3.InChIKey: VTMTVAPRBUVDRK-UHFFFAOYAF

Product Name

1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene

3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane Specification

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