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Cyclohexanecarboxylicacid, 4-methoxy-

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Name

Cyclohexanecarboxylicacid, 4-methoxy-

EINECS N/A
CAS No. 95233-12-8 Density 1.09 g/cm3
PSA 46.53000 LogP 1.27620
Solubility N/A Melting Point 55.5-58.5 °C
Formula C8H14O3 Boiling Point 266.6 °C at 760 mmHg
Molecular Weight 158.197 Flash Point 105.3 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 95233-12-8 (Cyclohexanecarboxylicacid, 4-methoxy-) Hazard Symbols IrritantXi
Synonyms

4-(Methyloxy)cyclohexanecarboxylicacid;4-Methoxycyclohexanecarboxylic acid;

Article Data 2

Cyclohexanecarboxylicacid, 4-methoxy- Specification

The Cyclohexanecarboxylicacid, 4-methoxy- is an organic compound with the formula C8H14O3. The systematic name of this chemical is 4-methoxycyclohexanecarboxylic acid. With the CAS registry number 95233-12-8, it is also named as 4-Methoxycyclohexane-1-Carboxylic Acid. The product's categories are C8; Carbonyl Compounds; Carboxylic Acids. Besides, it should be stored in a closed cool and dry place.

Physical properties about Cyclohexanecarboxylicacid, 4-methoxy- are: (1)ACD/LogP: 0.71; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.85; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 35.53 Å2; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 40.38 cm3; (12)Molar Volume: 144.5 cm3; (13)Polarizability: 16.01×10-24cm3; (14)Surface Tension: 38.1 dyne/cm; (15)Density: 1.09 g/cm3; (16)Flash Point: 105.3 °C; (17)Enthalpy of Vaporization: 55.54 kJ/mol; (18)Boiling Point: 266.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00247 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methoxy-cyclohexanecarboxylic acid methyl ester. This reaction will need reagent KOH and solvent ethanol. The reaction time is 24 hours by heating. The yield is about 63.3%.

Uses of Cyclohexanecarboxylicacid, 4-methoxy-: it can be used to produce 4-oxo-cyclohexanecarboxylic acid at ambient temperature. It will need reagent perfluoro-cis-2-n-butyl-3-n-propyloxaziridine and solvent CCl3F with reaction time of 2 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCC(OC)CC1
(2)InChI: InChI=1/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
(3)InChIKey: WKILSRYNRQGRMA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
(5)Std. InChIKey: WKILSRYNRQGRMA-UHFFFAOYSA-N

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