CAS No.41892-81-3,ETHYL 2-ACETYL-4-OXOPENTANOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41892-81-3
Name:	ETHYL 2-ACETYL-4-OXOPENTANOATE
Article Data:	27

Formula:	C₉H₁₄O₄
Molecular Weight:	186.208
Synonyms:	Levulinicacid, 2-acetyl-, ethyl ester (6CI);Ethyl 2,5-dioxohexane-3-carboxylate;Ethyl2-acetonylacetoacetate;
EINECS:	255-582-0
Density:	1.06 g/cm³
Boiling Point:	288.2 °C at 760 mmHg
Flash Point:	124.4 °C
Hazard Symbols:	Xi
PSA:	60.44000
LogP:	0.73380

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Specification

The Pentanoic acid,2-acetyl-4-oxo-, ethyl ester, with the CAS registry number 41892-81-3, is also known as CID3084847. Its EINECS registry number is 255-582-0. This chemical's molecular formula is C₉H₁₄O₄ and molecular weight is 186.089209. Its IUPAC name is called ethyl 2-acetyl-4-oxopentanoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Pentanoic acid,2-acetyl-4-oxo-, ethyl ester: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.53; (5)ACD/BCF (pH 7.4): 3.53; (6)ACD/KOC (pH 5.5): 85.93; (7)ACD/KOC (pH 7.4): 85.88; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.433; (11)Molar Refractivity: 45.53 cm³; (12)Molar Volume: 175.1 cm³; (13)Surface Tension: 33.8 dyne/cm; (14)Density: 1.062 g/cm³; (15)Flash Point: 124.4 °C; (16)Enthalpy of Vaporization: 52.75 kJ/mol; (17)Boiling Point: 288.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00237 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(CC(=O)C)C(=O)C
(2)InChI: InChI=1S/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3
(3)InChIKey: WANUOLLLVOSMFL-UHFFFAOYSA-N