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| CAS No.: | 7469-83-2 |
|---|---|
| Name: | 1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C14H18O3 |
| Molecular Weight: | 234.295 |
| Synonyms: | Cyclohexanecarboxylicacid, 1-(p-methoxyphenyl)- (6CI);1-(4-Methoxyphenyl)cyclohexanecarboxylicacid;NSC 402220;1-(4-methoxyphenyl)cyclohexanecarboxylic acid;cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-; |
| EINECS: | 231-266-8 |
| Density: | 1.141 g/cm3 |
| Melting Point: | 172-177 °C |
| Boiling Point: | 389.7 °C at 760 mmHg |
| Flash Point: | 145.8 °C |
| Appearance: | beige to light grey powder |
| Safety: | 24/25 |
| PSA: | 46.53000 |
| LogP: | 2.98170 |
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- Total:22 Page 1 of 1 1
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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