Product Name

  • Name

    ETHYL ACETATE (1-13C)

  • EINECS
  • CAS No. 3424-59-7
  • Article Data18
  • CAS DataBase
  • Density 0.898 g/cm3
  • Solubility
  • Melting Point -84 °C
  • Formula C4H8O2
  • Boiling Point 76-77 °C at 760 mmHg
  • Molecular Weight 89.0953
  • Flash Point 26 °C
  • Transport Information UN 1173
  • Appearance
  • Safety 16-26-33
  • Risk Codes 11-36-66-67
  • Molecular Structure Molecular Structure of 3424-59-7 (ETHYL ACETATE (1-13C))
  • Hazard Symbols FlammableF,IrritantXi
  • Synonyms Ethylacetate-1-13C (7CI);Ethyl 1-13C-acetate;Ethyl acetate-1-13C;
  • PSA 26.30000
  • LogP 0.56940

Acetic-1-13C acid,ethyl ester (8CI,9CI) 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

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