2-[(4,4-Diethoxy-2-butyn-1-yl)oxy]tetrahydropyran - ≥95% , CAS No.99805-29-5

CAS: 99805-29-5 Cat. No.: O770189 Molecular Weight: 242.31
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature,Desiccated
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
O770189-100mg
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$124.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Desiccated Ships Normal 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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥95%
Storage
Room temperature, Desiccated
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesCCOC(C#CCOC1CCCCO1)OCC
InChIKeyJUQGLOFZQZNAJR-UHFFFAOYSA-N
INCHI1S/C13H22O4/c1-3-14-12(15-4-2)9-7-11-17-13-8-5-6-10-16-13/h12-13H,3-6,8,10-11H2,1-2H3
Isomeric SMILES CCOC(C#CCOC1CCCCO1)OCC
Molecular Weight 242.31

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassOxanes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOxanes
Alternative Parents Oxacyclic compounds  Acetals  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Oxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
External Descriptors Not available
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 Weight242.310 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass242.152 Da
Monoisotopic Mass242.152 Da
Topological Polar Surface Area36.900 Ų
Heavy Atom Count17
Formal Charge0
Complexity247.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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