Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Cyclohexanebutanoicacid, b-oxo-, ethyl ester |
EINECS | N/A |
CAS No. | 64127-44-2 | Density | 1.008 g/cm3 |
PSA | 43.37000 | LogP | 2.47910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H20O3 | Boiling Point | 292.336 °C at 760 mmHg |
Molecular Weight | 212.289 | Flash Point | 123.844 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Cyclohexyl-3-oxobutanoicacid ethyl ester;Ethyl 4-cyclohexyl-3-oxobutanoate;Ethyl4-cyclohexylacetoacetate; |
Article Data | 8 |
The Cyclohexanebutanoicacid, b-oxo-, ethyl ester with CAS registry number of 64127-44-2 is also known as 4-Cyclohexyl-3-oxobutanoicacid ethyl ester. The systematic name is Ethyl 4-cyclohexyl-3-oxobutanoate. In addition, the formula is C12H20O3 and the molecular weight is 212.29.
Physical properties about Cyclohexanebutanoicacid, b-oxo-, ethyl ester are: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 192; (5)ACD/BCF (pH 7.4): 192; (6)ACD/KOC (pH 5.5): 1500; (7)ACD/KOC (pH 7.4): 1499; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.457; (11)Molar Refractivity: 57.333 cm3; (12)Molar Volume: 210.655 cm3; (13)Surface Tension: 35.253 dyne/cm; (14)Density: 1.008 g/cm3; (15)Flash Point: 123.844 °C; (16)Enthalpy of Vaporization: 53.183 kJ/mol; (17)Boiling Point: 292.336 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(CC1CCCCC1)CC(=O)OCC
2. InChI: InChI=1/C12H20O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
3. InChIKey: OQRIUDRGMXITRM-UHFFFAOYAB
4. Std. InChI: InChI=1S/C12H20O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
5. Std. InChIKey: OQRIUDRGMXITRM-UHFFFAOYSA-N