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2-Octynal - 97%, high purity , CAS No.1846-68-0
Basic Description
Synonyms
Amylpropiolaldehyd | STR05446 | 2-OCTYNAL 97 | DTXSID10171593 | Oct-2-ynal | J-011832 | 2-Octynal, 97% | AKOS024386546 | SCHEMBL477611 | DUUGWLGPIZCNLM-UHFFFAOYSA-N | EINECS 217-427-5 | 2-Octynal
Specifications & Purity
≥97%
Product Description
Description
2-Octynal was used in the synthesis of (R)- and (S)-argentilactone via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Aldehydes
Direct Parent
Medium-chain aldehydes
Alternative Parents
Ynals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain aldehyde - Ynal - Alpha,beta-unsaturated aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
oct-2-ynal
INCHI
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3
InChIKey
DUUGWLGPIZCNLM-UHFFFAOYSA-N
Smiles
CCCCCC#CC=O
Isomeric SMILES
CCCCCC#CC=O
WGK Germany
3
Molecular Weight
124.18
Reaxy-Rn
1702428
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702428&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
154.4 °F
Flash Point(°C)
68 °C
Molecular Weight
124.180 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
124.089 Da
Monoisotopic Mass
124.089 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
124.000
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
Citations of This Product
1.
Han Li, Xiaoming Wu, Yan Miao, Fengyu Dong, Xinjing Gui, Panpan Wang, Xuelin Li, Ruixin Liu.
(2025)
Quality Consistency Evaluation of Chemical Composition and Pharmacology of Pheretima aspergillum Dispensing Granules and Traditional Decoction Based on HPLC, GC-IMS, and Animal Experiments. JOURNAL OF SEPARATION SCIENCE,
48
(2):
(e70090).
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1 Citations