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1540-28-9

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Basic Information
CAS No.: 1540-28-9
Name: Ethyl 2-propylacetoacetate
Article Data: 30
Molecular Structure:
Molecular Structure of 1540-28-9 (Ethyl 2-propylacetoacetate)
Formula: C9H16O3
Molecular Weight: 172.224
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;
EINECS: 216-269-4
Density: 0.967 g/cm3
Boiling Point: 224 °C at 760 mmHg
Flash Point: 82.4 °C
PSA: 43.37000
LogP: 1.55480
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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