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Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)-

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Name

Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)-

EINECS 231-266-8
CAS No. 7469-83-2 Density 1.141 g/cm3
PSA 46.53000 LogP 2.98170
Solubility N/A Melting Point 172-177 °C
Formula C14H18O3 Boiling Point 389.7 °C at 760 mmHg
Molecular Weight 234.295 Flash Point 145.8 °C
Transport Information N/A Appearance beige to light grey powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 7469-83-2 (1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

Cyclohexanecarboxylicacid, 1-(p-methoxyphenyl)- (6CI);1-(4-Methoxyphenyl)cyclohexanecarboxylicacid;NSC 402220;1-(4-methoxyphenyl)cyclohexanecarboxylic acid;cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-;

Article Data 6

Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)- Specification

The Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)-, with the CAS registry number 7469-83-2 and EINECS registry number 231-266-8, has the systematic name of 1-(4-methoxyphenyl)cyclohexanecarboxylic acid. It is a kind of beige to light grey powder, and the molecular formula of the chemical is C14H18O3. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)- are as followings: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 13.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 110.87; (8)ACD/KOC (pH 7.4): 1.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 64.8 cm3; (15)Molar Volume: 205.3 cm3; (16)Polarizability: 25.69×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.141 g/cm3; (19)Flash Point: 145.8 °C; (20)Enthalpy of Vaporization: 67.41 kJ/mol; (21)Boiling Point: 389.7 °C at 760 mmHg; (22)Vapour Pressure: 9E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C2(c1ccc(OC)cc1)CCCCC2
(2)InChI: InChI=1/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
(3)InChIKey: JKJAJSWMKTWWJS-UHFFFAOYAU

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