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Cas Database |
| Name |
Ethyl 2-propylacetoacetate |
EINECS | 216-269-4 |
| CAS No. | 1540-28-9 | Density | 0.967 g/cm3 |
| PSA | 43.37000 | LogP | 1.55480 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H16O3 | Boiling Point | 224 °C at 760 mmHg |
| Molecular Weight | 172.224 | Flash Point | 82.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Valericacid, 2-acetyl-, ethyl ester (6CI,7CI,8CI);2-Propyl-3-oxobutanoic acid ethylester;Ethyl 2-acetylpentanoate;Ethyl 2-acetylvalerate;Ethyl2-propyl-3-oxobutanoate;NSC 6764;NSC 67958; |
Article Data | 30 |
Ethyl 2-propylacetoacetate Specification
The Ethyl 2-propylacetoacetate ,its cas register number is 1540-28-9.It also can be called as Pentanoic acid, 2-acetyl-, ethyl ester and the IUPAC name about this chemicals is ethyl 2-acetylpentanoate .123325-83-7 is its other registry number.
Following are the chemical properties about Ethyl 2-propylacetoacetate :(1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 6 ; (4)Polar Surface Area: 43.37Å2 ; (5)Index of Refraction: 1.424 ; (6)Molar Refractivity: 45.5 cm3 ; (7)Molar Volume: 178 cm3 ; (8)Polarizability: 18.04x10-24cm3 ; (9)Surface Tension: 30.1 dyne/cm ; (10)Enthalpy of Vaporization: 46.05 kJ/mol ; (11)Vapour Pressure: 0.0934 mmHg at 25°C .
This chemicals can be described computed from structure:
(1)Canonical SMILES: CCCC(C(=O)C)C(=O)OCC
(2)InChI: InChI=1S/C9H16O3/c1-4-6-8(7(3)10)9(11)12-5-2/h8H,4-6H2,1-3H3
(3)InChIKey: VHOACUZAQKMOEQ-UHFFFAOYSA-N
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