1-Heptanone,1-(4-methoxyphenyl)- supplier

Name
HEXYL P-METHOXYPHENYL KETONE
EINECS
CAS No. 69287-13-4
Article Data25
CAS DataBase
Density 0.968 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₀O₂
Boiling Point 335.3 °C at 760 mmHg
Molecular Weight 220.312
Flash Point 139 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(4-Methoxyphenyl)-1-heptanone;1-(4-Methoxyphenyl)heptane-1-one;Hexyl 4-methoxyphenyl ketone;p-Methoxyheptanophenone;
PSA 26.30000
LogP 3.84830

1-Heptanone,1-(4-methoxyphenyl)- Specification

The 1-Heptanone,1-(4-methoxyphenyl)-, with the CAS registry number 69287-13-4, is also known as p-Methoxyheptanophenone. This chemical's molecular formula is C₁₄H₂₀O₂ and molecular weight is 220.31. What's more, its systematic name is 1-(4-methoxyphenyl)heptan-1-one.

Physical properties of 1-Heptanone,1-(4-methoxyphenyl)- are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1292.8; (6)ACD/BCF (pH 7.4): 1292.8; (7)ACD/KOC (pH 5.5): 5872.62; (8)ACD/KOC (pH 7.4): 5872.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 66.12 cm³; (15)Molar Volume: 227.4 cm³; (16)Polarizability: 26.21×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.968 g/cm³; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 57.83 kJ/mol; (21)Boiling Point: 335.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000121 mmHg at 25°C.

Preparation of 1-Heptanone,1-(4-methoxyphenyl)-: this chemical can be prepared by 1-p-Methoxyphenyl-1-heptyn at the temperature of 65 °C. This reaction will need reagents Na₂S, aq. HCl and solvent methanol with the reaction time of 60 hours. The yield is about 92%.

1-Heptanone,1-(4-methoxyphenyl)- can be prepared by 1-p-Methoxyphenyl-1-heptyn at the temperature of 65 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1)CCCCCC
(2)InChI: InChI=1S/C14H20O2/c1-3-4-5-6-7-14(15)12-8-10-13(16-2)11-9-12/h8-11H,3-7H2,1-2H3
(3)InChIKey: ADNCVBHGESSUHS-UHFFFAOYSA-N

Product Name

HEXYL P-METHOXYPHENYL KETONE

1-Heptanone,1-(4-methoxyphenyl)- Specification

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