Cyclohexanebutanoicacid, b-oxo-, ethyl ester supplier

Name
4-CYCLOHEXYL-3-OXO-BUTYRIC ACID ETHYL ESTER
EINECS
CAS No. 64127-44-2
Article Data8
CAS DataBase
Density 1.008 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₃
Boiling Point 292.336 °C at 760 mmHg
Molecular Weight 212.289
Flash Point 123.844 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyclohexyl-3-oxobutanoicacid ethyl ester;Ethyl 4-cyclohexyl-3-oxobutanoate;Ethyl4-cyclohexylacetoacetate;
PSA 43.37000
LogP 2.47910

Cyclohexanebutanoicacid, b-oxo-, ethyl ester Specification

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

Product Name

4-CYCLOHEXYL-3-OXO-BUTYRIC ACID ETHYL ESTER

Cyclohexanebutanoicacid, b-oxo-, ethyl ester Specification

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