Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-hydroxycyclohexanecarboxylate |
EINECS | N/A |
CAS No. | 3444-72-2 | Density | 1.093 g/cm3 |
PSA | 46.53000 | LogP | 1.10060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H16O3 | Boiling Point | 251.4 °C at 760 mmHg |
Molecular Weight | 172.224 | Flash Point | 100.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Carbethoxycyclohexanol;Ethyl 2-hydroxycyclohexanecarboxylate;NSC 245145; |
Article Data | 24 |
The CAS registry number of Cyclohexanecarboxylicacid,2-hydroxy-,ethyl ester is 3444-72-2. The IUPAC name is ethyl 2-hydroxycyclohexanecarboxylate. In addition, the molecular formula is C9H16O3 and the molecular weight is 172.22. It belongs to the class of Pharmacetical.
Physical properties about Cyclohexanecarboxylicacid,2-hydroxy-,ethyl ester are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.481; (8)Molar Refractivity: 44.84 cm3; (9)Molar Volume: 157.5 cm3; (10)Polarizability: 17.77 ×10-24cm3; (11)Surface Tension: 41.2 dyne/cm; (12)Density: 1.093 g/cm3; (13)Flash Point: 100.2 °C; (14)Enthalpy of Vaporization: 56.78 kJ/mol; (15)Boiling Point: 251.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00322 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CCCCC1O
(2)InChI: InChI=1/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3
(3)InChIKey: WOGRTPJVNNCUKN-UHFFFAOYAN