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84508-55-4

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Basic Information
CAS No.: 84508-55-4
Name: Ethyl acetoacetate (1,2,3,4-13C4)
Molecular Structure:
Molecular Structure of 84508-55-4 (Ethyl acetoacetate (1,2,3,4-13C4))
Formula: C6H10O3
Molecular Weight: 134.1
Synonyms: Ethyl 3-oxobutanate(1,2,3,4-13C4);Ethyl 3-oxo(13C4)butanoate;Ethyl acetoacetate-1,2,3,4-13C4;
Density: 1.015 g/cm3
Melting Point: -43 °C
Boiling Point: 181 °C(lit.)
Flash Point: 184 °F
Appearance: Liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-41
Safety: 26-36
PSA: 43.37000
LogP: 0.52860
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Specification

The Ethyl acetoacetate (1,2,3,4-13C4), with the CAS registry number of 84508-55-4, is also known as Ethyl 3-oxobutanate(1,2,3,4-13C4). It belongs to the product categories of Alphabetical Listings; E-FStable Isotopes; Metabolic Research; Other; Stable Isotopes. The molecular formula of this chemical is C6H10O3 and its molecular weight is 134.18. What's more, its systematic name is Ethyl 3-oxo(13C4)butanoate.

Physical properties about Ethyl acetoacetate (1,2,3,4-13C4) are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Index of Refraction: 1.408; (5)Molar Refractivity: 31.651 cm3; (6)Molar Volume: 128.178 cm3; (7)Polarizability: 12.547×10-24 cm3; (8)Surface Tension: 30.272 dyne/cm; (9)Density: 1.015 g/cm3.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is a risk of serious damage to eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)CC(=O)C
(2) InChI: InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i2+1,4+1,5+1,6+1
(3) InChIKey: XYIBRDXRRQCHLP-XMUWKQMQEW