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1-Ethynyl-1-methoxycyclohexane - ≥95% , CAS No.5240-36-8
DISPONIBLE À COMMANDE
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% 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
Spécifications et pureté
≥95%
Conditions de stockage de stockage
Room temperature
Pureté
≥95%
Noms et identifiants
| Sourires canoniques | COC1(CCCCC1)C#C |
|---|---|
| IUPAC Name | 1-ethynyl-1-methoxycyclohexane |
| InChIKey | XIAIXPAXBPDAQZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H14O/c1-3-9(10-2)7-5-4-6-8-9/h1H,4-8H2,2H3 |
| Isomères SMILES | COC1(CCCCC1)C#C |
| PubChem CID | 565190 |
| Poids moléculaire | 138.21 |
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
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic oxygen compounds
- Classe Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Alpha,beta-unsaturated carbonyl compounds
- Level6 Alpha,beta-unsaturated ketones
- Level7 Ynones
- Level6 Alpha,beta-unsaturated ketones
- Level5 Alpha,beta-unsaturated carbonyl compounds
- Subclass Carbonyl compounds
- Classe Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones |
| Direct Parent | Ynones |
| Alternative Parents | Dialkyl ethers Acetylides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Ynone - Acetylide - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H). |
| External Descriptors | Not available |
Structure 3D
Modèle de structure chimique interactif
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
| Poids moléculaire | 138.210 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.104 Da |
| Monoisotopic Mass | 138.104 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 145.000 |
| 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 |
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