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| CAS No.: | 6833-47-2 |
|---|---|
| Name: | trans-4-Ethylcyclohexanecarboxylic acid |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H16O2 |
| Molecular Weight: | 156.225 |
| Synonyms: | trans-4-Ethylcyclohexane-1-carboxylicacid; |
| EINECS: | 676-757-1 |
| Density: | 0.999 g/cm3 |
| Melting Point: | 48-51 °C |
| Boiling Point: | 252.5 °C at 760 mmHg |
| Flash Point: | 120 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 2.28740 |
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Specification
The CAS register number of trans-4-Ethylcyclohexanecarboxylic acid is 6833-47-2. It also can be called as Cyclohexanecarboxylicacid, 4-ethyl-, trans- and the systematic name about this chemical is trans-4-ethylcyclohexanecarboxylic acid. The molecular formula about this chemical is C9H16O2 and the molecular weight is 156.22. It belongs to the Biphenyl & Diphenyl ether.
Physical properties about trans-4-Ethylcyclohexanecarboxylic acid are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 20.01; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 201.34; (7)ACD/KOC (pH 7.4): 3.52; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3Å2; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 43.1 cm3; (14)Molar Volume: 156.2 cm3; (15)Polarizability: 17.08x10-24cm3; (16)Surface Tension: 34.5 dyne/cm; (17)Enthalpy of Vaporization: 53.94 kJ/mol; (18)Boiling Point: 252.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00602 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-ethyl-benzoic acid. This reaction will need reagent H2, AcOH, catalyst PtO2. The reaction time is 24 hour(s) with reaction pressure of 2585.7. The yield is about 90%.
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Uses of trans-4-Ethylcyclohexanecarboxylic acid: it can be used to produce trans-4-ethylcyclohexane-1-carboxylic acid chloride. This reaction will need reagent thionyl chloride.
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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 protective clothing, 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: CC[C@@H]1CC[C@H](CC1)C(O)=O
(2)InChI: InChI=1/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8-
(3)InChIKey: UNROFSAOTBVBBT-ZKCHVHJHBT
(4)Std. InChI: InChI=1S/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8-
(5)Std. InChIKey: UNROFSAOTBVBBT-ZKCHVHJHSA-N