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Basic Information
CAS No.: 3424-59-7
Name: ETHYL ACETATE (1-13C)
Article Data: 18
Molecular Structure:
Molecular Structure of 3424-59-7 (ETHYL ACETATE (1-13C))
Formula: C4H8O2
Molecular Weight: 89.0953
Synonyms: Ethylacetate-1-13C (7CI);Ethyl 1-13C-acetate;Ethyl acetate-1-13C;
Density: 0.898 g/cm3
Melting Point: -84 °C
Boiling Point: 76-77 °C at 760 mmHg
Flash Point: 26 °C
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36-66-67
Safety: 16-26-33
Transport Information: UN 1173
PSA: 26.30000
LogP: 0.56940
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Specification

The Acetic-1-13C acid,ethyl ester (8CI,9CI) with CAS registry number of 3424-59-7 is also known as Ethyl acetate-1-13C. The systematic name is Ethyl (2-13C)acetate. It belongs to product categories of Alphabetical Listings; E-F; Stable Isotopes. In addition, the formula is C4H8O2 and the molecular weight is 89.10. This chemical should be stored in sealed containers in cool and dry place.

Physical properties about Acetic-1-13C acid,ethyl ester (8CI,9CI) are: (1)Index of Refraction: 1.373; (2)Molar Refractivity: 22.35 cm3; (3)Molar Volume: 98 cm3; (4)Polarizability: 8.86×10-24cm3; (5)Surface Tension: 23.5 dyne/cm; (6)Density: 0.898 g/cm3.

Uses of Acetic-1-13C acid,ethyl ester (8CI,9CI): it is used to produce 1,4-dimethyl-[1-13C]cyclohexanol by reaction with C6H12Br2Mg2. The reaction occurs with reagent tetrahydrofuran at 20 °C for 48 hours. The yield is about 92%.

Acetic-1-13C acid,ethyl ester (8CI,9CI) is used to produce 1,4-dimethyl-[1-13C]cyclohexanol by reaction with C6H12Br2Mg2.

When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable and irritating to eyes. What's more, repeated exposure may cause skin dryness or cracking and vapours may cause drowsiness and dizziness. During using it, take precautionary measures against static discharges and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: CCOC(=O)C
2. InChI: InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i2+1
3. InChIKey: XEKOWRVHYACXOJ-VQEHIDDOEJ
4. Std. InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i2+1
5. Std. InChIKey: XEKOWRVHYACXOJ-VQEHIDDOSA-N