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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Ethylhexyl isocyanate - ≥98% , CAS No.20392-34-1
Synonyms
MFCD10566940 | 2-ETHYLHEXYL ISOCYANATE | Heptane, 3-(isocyanatomethyl)- | DTXSID30504400 | SCHEMBL130738 | GEO-03755 | 2-Ethylhexyl isocyanate, 98% | AKOS015912858 | 2-Ethylhexylisocyanate | 3-(ISOCYANATOMETHYL)HEPTANE | BHDCTKUOBUNTTP-UHFFFAOYSA-N | J-01
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
MFCD10566940 | 2-ETHYLHEXYL ISOCYANATE | Heptane, 3-(isocyanatomethyl)- | DTXSID30504400 | SCHEMBL130738 | GEO-03755 | 2-Ethylhexyl isocyanate, 98% | AKOS015912858 | 2-Ethylhexylisocyanate | 3-(ISOCYANATOMETHYL)HEPTANE | BHDCTKUOBUNTTP-UHFFFAOYSA-N | J-01
Specifications & Purity
≥98%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CCCCC(CC)CN=C=O IUPAC Name 3-(isocyanatomethyl)heptane InChIKey BHDCTKUOBUNTTP-UHFFFAOYSA-N INCHI 1S/C9H17NO/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3 Isomeric SMILES CCCCC(CC)CN=C=O WGK Germany 3 Molecular Weight 155.24 Reaxy-Rn 1760188 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760188&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture sensitive Refractive Index n20/D 1.4320 (lit.) Flash Point(°F) 158 °F Flash Point(°C) 70 °C Boil Point(°C) 190 °C (lit.) Molecular Weight 155.240 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 6 Exact Mass 155.131 Da Monoisotopic Mass 155.131 Da Topological Polar Surface Area 29.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 128.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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Frequently Asked Questions What is the purity of this product? This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
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