CAS No.6290-17-1,ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6290-17-1
Name:	ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL
Article Data:	5

Formula:	C₉H₁₆O₄
Molecular Weight:	188.224
Synonyms:	2,4-Dimethyl-2-[(ethoxycarbonyl)methyl]-1,3-dioxolane;Ethyl 2,4-dimethyl-1,3-dioxolane-2-carboxylate;NSC 6547;
EINECS:	228-536-2
Density:	1.026 g/cm³
Boiling Point:	220.6 °C at 760 mmHg
Flash Point:	86.8 °C
Solubility:	1.244g/L at 24℃
Appearance:	colourless to pale yellow liquid
Safety:	23-24/25
PSA:	44.76000
LogP:	1.09110

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Specification

The 1, 3-Dioxolane-2-aceticacid, 2, 4-dimethyl-, ethyl ester, with the CAS registry number of 6290-17-1, is also known as 3-Dioxolane-2-aceticacid, 2, 4-dimethyl-ethylester and Acetoaceticacid, ethylester, 1, 2-propyleneketal. It belongs to the product categories of Alphabetical Listings; E-F; Flavors and Fragrances. Its EINECS registry number is 228-536-2. This chemical's molecular formula is C₉H₁₆O₄ and molecular weight is 188.22. What's more, its IUPAC name is Ethyl 2-(2, 4-dimethyl-1, 3-dioxolan-2-yl)acetate.

Physical properties about 1, 3-Dioxolane-2-aceticacid, 2, 4-dimethyl-, ethyl ester are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.56; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 103.17; (8)ACD/KOC (pH 7.4): 103.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 46.73 cm³; (15)Molar Volume: 183.2 cm³; (16)Polarizability: 18.52×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.026 g/cm³; (19)Flash Point: 86.8 °C; (20)Enthalpy of Vaporization: 45.7 kJ/mol; (21)Boiling Point: 220.6 °C at 760 mmHg; (22)Vapour Pressure: 0.112 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: The vapour of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC1(OCC(O1)C)C
(2) InChI: O=C(OCC)CC1(OCC(O1)C)C
(3) InChIKey: GSIXJEIRJVOUFB-UHFFFAOYAQ