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CA 1001, also known as ETH 1001, is a Ca|2+|-selective ionophore neutral carrier. Membrane transport of Ca|2+|is facilitated by CA 1001, and it is demonstrated for use in Ca|2+|transport studies. CA 1001 is used as the ionophore in the design of Ca|2+|-selective membrane microelectrodes for Ca|2+|determination.
| Canonical Smiles | CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC |
|---|---|
| IUPAC Name | ethyl 12-[[2-[(2R,3R)-3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yl]oxyacetyl]-methylamino]dodecanoate |
| InChIKey | CJAONIOAQZUHPN-KKLWWLSJSA-N |
| INCHI | 1S/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3/t33-,34-/m1/s1 |
| Isomeric SMILES | CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC |
| WGK Germany | 3 |
| Molecular Weight | 684.99 |
| Beilstein | 2343275 |
| Reaxy-Rn | 2343275 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2343275&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2608367 | Certificate of Analysis | Apr 27, 2026 | C346794 |
| H2513482 | Certificate of Analysis | Jul 23, 2025 | C346794 |
| H2513483 | Certificate of Analysis | Jul 23, 2025 | C346794 |
| H2513484 | Certificate of Analysis | Jul 23, 2025 | C346794 |
| F2421195 | Certificate of Analysis | Jun 11, 2024 | C346794 |
| F2421196 | Certificate of Analysis | Jun 11, 2024 | C346794 |
| Solubility | Soluble in DMSO, and EtOH. |
|---|---|
| Sensitivity | Air sensitive |
| Refractive Index | n20D1.47 (Predicted) |
| Boil Point(°C) | 715.08° C at 760 mmHg (Predicted) |
| Molecular Weight | 685.000 g/mol |
| XLogP3 | 8.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 35 |
| Exact Mass | 684.529 Da |
| Monoisotopic Mass | 684.529 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 759.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Chaojiang Li, Yuxuan Liu, Guodong Liu, Qifeng Tan, Xiaolong Dou, Yuting Xie, Xianchao Zhang. (2025) Development of a low-cost flexible potentiometric detector and its integrated system for electrochemical sensing of electrolytes in human sweat. Sensors and Actuators Reports, [PMID:] [10.1016/j.snr.2025.100286] |
| 2. Wang Youwei, Wang Xiushan, Xu Huan, Wu Ang, Chen Ying, Li Guiqiang, Dong Chuanxin, Li Yahui, Mei Chao, Li Shuailin, Zhang Hehu. (2024) Self-plasticized Ca2+-selective electrode with polyaniline and copolymer of aniline and 2,5-dimethoxyaniline as solid contact layers. JOURNAL OF MATERIALS SCIENCE, 59 (34): (16129-16140). [PMID:] [10.1007/s10853-024-10166-w] |
| 3. Yanni Ge, Ran Zhang, Yuqing Feng, Huiling Li. (2020) Mbd2 Mediates Retinal Cell Apoptosis by Targeting the lncRNA Mbd2-AL1/miR-188-3p/Traf3 Axis in Ischemia/Reperfusion Injury. Molecular Therapy-Nucleic Acids, [PMID:32074940] [10.1016/j.omtn.2020.01.011] |
| 4. Ran Zhang, Yuqing Feng, Jinfang Lu, Yanni Ge, Huiling Li. (2021) lncRNA Ttc3-209 Promotes the Apoptosis of Retinal Ganglion Cells in Retinal Ischemia Reperfusion Injury by Targeting the miR-484/Wnt8a Axis. INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE, 62 (3): (13-13). [PMID:33687475] [10.1167/iovs.62.3.13] |
| 5. Guodong Liu, Xianyang Guan, Pingna Zhang, Qifeng Tan, Tianlong Li, Xin Jin, Huiqing Xu, Chaojiang Li, Jieliang Zhao. (2025) A Fully Integrated Wearable Microfluidic Electrochemical Sensor with Ultrasonic Connecting and Hot-Pressing Bonded Multilayer Structure for Sweat Biomarker Analysis. ANALYTICAL CHEMISTRY, [PMID:41055006] [10.1021/acs.analchem.5c04641] |