≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.
| Canonical Smiles | CCOC(=O)C(CCCCN=C=O)N=C=O |
|---|---|
| IUPAC Name | ethyl (2S)-2,6-diisocyanatohexanoate |
| InChIKey | IGWTZHMYJZZIGC-VIFPVBQESA-N |
| INCHI | 1S/C10H14N2O4/c1-2-16-10(15)9(12-8-14)5-3-4-6-11-7-13/h9H,2-6H2,1H3/t9-/m0/s1 |
| Isomeric SMILES | CCOC(=O)[C@H](CCCCN=C=O)N=C=O |
| Molecular Weight | 226.23 |
| Reaxy-Rn | 1979422 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1979422&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Fatty acid esters Isocyanates Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| 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 |
|---|---|---|---|
 E2614330 | Certificate of Analysis | May 07, 2026 | L193461 |
| E2614329 | Certificate of Analysis | May 07, 2026 | L193461 |
| E2614328 | Certificate of Analysis | May 07, 2026 | L193461 |
| G2525415 | Certificate of Analysis | Jul 14, 2025 | L193461 |
| G2525414 | Certificate of Analysis | Jul 14, 2025 | L193461 |
| G2525404 | Certificate of Analysis | Jul 14, 2025 | L193461 |
| G2525403 | Certificate of Analysis | Jul 14, 2025 | L193461 |
| D2603129 | Certificate of Analysis | Jul 14, 2025 | L193461 |
| F2214204 | Certificate of Analysis | Mar 04, 2025 | L193461 |
| B2524071 | Certificate of Analysis | Feb 13, 2025 | L193461 |
| B2524260 | Certificate of Analysis | Feb 13, 2025 | L193461 |
| B2524261 | Certificate of Analysis | Feb 13, 2025 | L193461 |
| B2527733 | Certificate of Analysis | Feb 13, 2025 | L193461 |
| J2417586 | Certificate of Analysis | Aug 27, 2024 | L193461 |
| J2417583 | Certificate of Analysis | Aug 27, 2024 | L193461 |
| J2417582 | Certificate of Analysis | Aug 27, 2024 | L193461 |
| J2417573 | Certificate of Analysis | Aug 27, 2024 | L193461 |
| F2427480 | Certificate of Analysis | Jun 17, 2024 | L193461 |
| F2427481 | Certificate of Analysis | Jun 17, 2024 | L193461 |
| F2427477 | Certificate of Analysis | Jun 17, 2024 | L193461 |
| D2424286 | Certificate of Analysis | Apr 15, 2024 | L193461 |
| D2424274 | Certificate of Analysis | Apr 15, 2024 | L193461 |
| D2424275 | Certificate of Analysis | Apr 15, 2024 | L193461 |
| D2424276 | Certificate of Analysis | Apr 15, 2024 | L193461 |
| D2424277 | Certificate of Analysis | Apr 15, 2024 | L193461 |
| E2113234 | Certificate of Analysis | Feb 22, 2024 | L193461 |
| E2113232 | Certificate of Analysis | Feb 22, 2024 | L193461 |
| G2228816 | Certificate of Analysis | Jun 09, 2022 | L193461 |
| F2214209 | Certificate of Analysis | Mar 21, 2022 | L193461 |
| F2214208 | Certificate of Analysis | Mar 21, 2022 | L193461 |
| A2402125 | Certificate of Analysis | Mar 21, 2022 | L193461 |
| Solubility | Sparingly soluble in water (0.19 g/L). |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 226.230 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 226.095 Da |
| Monoisotopic Mass | 226.095 Da |
| Topological Polar Surface Area | 85.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 304.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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