Cas no 3424-59-7 (Acetic-1-13C acid,ethyl ester (8CI,9CI))
3424-59-7 structure
Product Name:Acetic-1-13C acid,ethyl ester (8CI,9CI)
CAS No:3424-59-7
MF:C4H8O2
MW:89.0977764129639
CID:304733
PubChem ID:12206859
Update Time:2025-04-19
Acetic-1-13C acid,ethyl ester (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Acetic-1-13C acid,ethyl ester (8CI,9CI)
- [1-13C]acetic acid ethyl ester
- [1-13C]Essigsaeure-aethylester
- ethyl [1-13C]acetate
- ethyl 1-13-acetate
- ethyl acetate-carboxy-13C
- Ethylacetat-1-(13)C
- I14-54220
- AKOS015915703
- Ethyl acetate-1-13C
- 3424-59-7
- Ethyl acetate(1-13c)
- DTXSID80480447
- Ethyl acetate-1-13C, 99 atom % 13C
-
- Inchi： 1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i4+1
- InChI Key： XEKOWRVHYACXOJ-AZXPZELESA-N
- SMILES： O([13C](C)=O)CC
Computed Properties
- Exact Mass: 89.055784329g/mol
- Monoisotopic Mass: 89.055784329g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 49.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: Not determined
- Density: 0.902?g/mL?at 25?°C
- Melting Point: -84?°C(lit.)
- Boiling Point: 76-77?°C(lit.)
- Flash Point: 26?°F
- Refractive Index: n20/D 1.372(lit.)
- Solubility: Not determined
- Vapor Pressure: 73 mm Hg ( 20 °C)
Acetic-1-13C acid,ethyl ester (8CI,9CI) Security Information
- Hazardous Material transportation number：UN 1173 3/PG 2
- WGK Germany：3
- Hazard Category Code： 11-36-66-67
- Safety Instruction： 16-26-33
-
Hazardous Material Identification：
- Risk Phrases：R11
Acetic-1-13C acid,ethyl ester (8CI,9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AF70066-1g |
ETHYL ACETATE (1-13C) |
3424-59-7 | 99%13C | 1g |
$788.00 | 2024-04-20 |
Acetic-1-13C acid,ethyl ester (8CI,9CI) Related Literature
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K. V. Kovtunov,D. A. Barskiy,O. G. Salnikov,R. V. Shchepin,A. M. Coffey,L. M. Kovtunova,V. I. Bukhtiyarov,I. V. Koptyug,E. Y. Chekmenev RSC Adv. 2016 6 69728
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Kohei Suzuki,Kota Katayama,Yuji Sumii,Tomoya Nakagita,Ryoji Suno,Hirokazu Tsujimoto,So Iwata,Takuya Kobayashi,Norio Shibata,Hideki Kandori RSC Adv. 2021 11 12559
-
Richard Cowdell,Christopher J. Davies,Stephen J. Hilton,Jean-Didier Maréchal,Gregory A. Solan,Owen Thomas,John Fawcett Dalton Trans. 2004 3231
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