≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Hexadecyl isocyanate is a useful chemical for production of polyurethanes or pesticides.
| Pubchem Sid | 488184973 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184973 |
| Canonical Smiles | CCCCCCCCCCCCCCCCN=C=O |
| IUPAC Name | 1-isocyanatohexadecane |
| InChIKey | GFLXBRUGMACJLQ-UHFFFAOYSA-N |
| INCHI | 1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3 |
| Isomeric SMILES | CCCCCCCCCCCCCCCCN=C=O |
| WGK Germany | 3 |
| UN Number | 2206 |
| Packing Group | III |
| Molecular Weight | 267.45 |
| Reaxy-Rn | 1785098 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785098&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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Isocyanates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocyanates |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O. |
| 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 |
|---|---|---|---|
 D23142370 | Certificate of Analysis | Jan 21, 2026 | H338591 |
| D23142310 | Certificate of Analysis | Jan 21, 2026 | H338591 |
| K2214690 | Certificate of Analysis | Aug 18, 2025 | H338591 |
| K2214686 | Certificate of Analysis | Aug 18, 2025 | H338591 |
| K2214623 | Certificate of Analysis | Aug 06, 2025 | H338591 |
| H2528260 | Certificate of Analysis | Jun 23, 2025 | H338591 |
| H2528315 | Certificate of Analysis | Jun 23, 2025 | H338591 |
| H2528316 | Certificate of Analysis | Jun 23, 2025 | H338591 |
| H2528317 | Certificate of Analysis | Jun 23, 2025 | H338591 |
| B2527363 | Certificate of Analysis | Jul 25, 2022 | H338591 |
| C2517161 | Certificate of Analysis | Jul 25, 2022 | H338591 |
| L2425227 | Certificate of Analysis | Jul 25, 2022 | H338591 |
| Refractive Index | 1.448 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 186-188° C (lit.) at 14 mmHg |
| Molecular Weight | 267.400 g/mol |
| XLogP3 | 8.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 267.256 Da |
| Monoisotopic Mass | 267.256 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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. Dengshuai Wei, Yingjie Yu, Xingcai Zhang, Yongheng Wang, Hao Chen, Yao Zhao, Fuyi Wang, Guanghua Rong, Wenwen Wang, Xiang Kang, Jing Cai, Zehua Wang, Ji-Ye Yin, Muhammad Hanif, Yongbing Sun, Gaofeng Zha, Linxian Li, Guohui Nie, Haihua Xiao. (2020) Breaking the Intracellular Redox Balance with Diselenium Nanoparticles for Maximizing Chemotherapy Efficacy on Patient-Derived Xenograft Models. ACS Nano, [PMID:33283501] [10.1021/acsnano.0c06190] |
| 2. Xiaoyan Han, Pengyuan Gao, Shuyi Deng, Peng Mei, Qing Zhang, Yingkui Yang. (2020) Facile simultaneous polymerization enabled in-situ confinement of size-tailored GeO2 nanocrystals in continuous S-Doped carbons for lithium storage. Materials Today Chemistry, [PMID:] [10.1016/j.mtchem.2020.100293] |
