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| CAS No.: | 17159-80-7 |
|---|---|
| Name: | ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C9H16O3 |
| Molecular Weight: | 172.224 |
| Synonyms: | 4-Hydroxycyclohexanecarboxylicacid ethyl ester;Ethyl 4-hydroxycyclohexanecarboxylate;Ethyl4-hydroxycyclohexylcarboxylate; |
| EINECS: | 241-215-1 |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 251.411 °C at 760 mmHg |
| Flash Point: | 100.193 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 1.10060 |
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Specification
The Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester, with CAS registry number 17159-80-7, belongs to the following product categories: (1)C8 to C9; (2)Carbonyl Compounds; (3)Esters. It has the systematic name of ethyl 4-hydroxycyclohexanecarboxylate. And the chemical formula of this chemical is C9H16O3. What's more, its EINECS is 241-215-1.
Physical properties of Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.78; (6)ACD/BCF (pH 7.4): 3.78; (7)ACD/KOC (pH 5.5): 90.08; (8)ACD/KOC (pH 7.4): 90.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 44.84 cm3; (15)Molar Volume: 157.5 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 56.78 kJ/mol; (21)Boiling Point: 251.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00322 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-hydroxy-benzoic acid ethyl ester. This reaction will need reagent H2.
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Uses of Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester: it can be used to produce 4-oxo-cyclohexanecarboxylic acid ethyl ester. This reaction will need reagent chromic acid.
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When you are using this chemical, please be cautious about it as the following:
The Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(OCC)C1CCC(O)CC1
(2)InChI: InChI=1/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
(3)InChIKey: BZKQJSLASWRDNE-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
(5)Std. InChIKey: BZKQJSLASWRDNE-UHFFFAOYSA-N