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1,4-Diethynyl-2,5-bis(octyloxy)benzene - ≥98% , CAS No.153033-27-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CCCCCCCCOC1=CC(=C(C=C1C#C)OCCCCCCCC)C#C |
|---|---|
| IUPAC Name | 1,4-diethynyl-2,5-dioctoxybenzene |
| InChIKey | DTQSWUKTVHNQNX-UHFFFAOYSA-N |
| INCHI | 1S/C26H38O2/c1-5-9-11-13-15-17-19-27-25-21-24(8-4)26(22-23(25)7-3)28-20-18-16-14-12-10-6-2/h3-4,21-22H,5-6,9-20H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCOC1=CC(=C(C=C1C#C)OCCCCCCCC)C#C |
| PubChem CID | 5252223 |
| Molecular Weight | 382.6 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 382.600 g/mol |
|---|---|
| XLogP3 | 9.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 18 |
| Exact Mass | 382.287 Da |
| Monoisotopic Mass | 382.287 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 421.000 |
| 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 |
Solution Calculators
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