Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)- supplier

Name
1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID
EINECS 231-266-8
CAS No. 7469-83-2
Article Data6
CAS DataBase
Density 1.141 g/cm³
Solubility
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
Appearance beige to light grey powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanecarboxylicacid, 1-(p-methoxyphenyl)- (6CI);1-(4-Methoxyphenyl)cyclohexanecarboxylicacid;NSC 402220;1-(4-methoxyphenyl)cyclohexanecarboxylic acid;cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-;
PSA 46.53000
LogP 2.98170

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

Product Name

1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID

Cyclohexanecarboxylicacid, 1-(4-methoxyphenyl)- Specification

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