20739-58-6

Basic information

• Product Name: 2-Octyn-1-ol
• Synonyms: 2-OCTYN-1-OL;TIMTEC-BB SBB009105;Oct-2-yn-1-ol;2-Octyn-1-ol,98%;2-OCTYN-1-OL 98%
• CAS NO: 20739-58-6
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.2
• Product Categories: Alkynes;Internal;Organic Building Blocks;Building Blocks;Chemical Synthesis;Organic Building Blocks
• Mol File: 20739-58-6.mol
• Article Data: 57

Chemical Properties

• Melting Point: -18°C
• Boiling Point: 76-78 °C2 mm Hg(lit.)
• Flash Point: 195 °F
• Appearance: Clear colorless to slightly yellow/Liquid
• Density: 0.880 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.3mmHg at 25°C
• Refractive Index: n20/D 1.4560(lit.)
• Storage Temp.: 2-8°C
• PKA: 13.11±0.10(Predicted)
• BRN: 1744120
• CAS DataBase Reference: 2-Octyn-1-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Octyn-1-ol(20739-58-6)
• EPA Substance Registry System: 2-Octyn-1-ol(20739-58-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 37/39-26
• RIDADR: UN 1993 / PGIII
• WGK Germany: 3
• F: 10-23
• Hazardous Substances Data: 20739-58-6(Hazardous Substances Data)

Usage

Description

2-Octyn-1-ol is a clear, colorless to slightly yellow liquid with chemical properties that make it a potential descriptor for toxicity prediction through electrophilicity. It is also a naturally occurring compound found in Ixora pavetta Vahl, a small tree with various medicinal applications.

Uses

Used in Toxicity Prediction:
2-Octyn-1-ol is used as a descriptor for toxicity prediction through its electrophilic properties, which can help in assessing the potential hazards of certain chemicals or compounds.
Used in Pharmaceutical Applications:
2-Octyn-1-ol is used in the treatment of various medical conditions such as diarrhea, dysentery, urinary disorders, leukorrhea, vernal diseases, and as a sedative. This is due to its presence in Ixora pavetta Vahl, a small tree with medicinal properties.
Used in Environmental Applications:
2-Octyn-1-ol, being a naturally occurring compound, may also have potential applications in environmental science, particularly in the study of plant chemistry and its interaction with the environment.

InChI:InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3

Upstream product

• 693-03-8 n-butyl magnesium bromide 
• 13280-07-4 4-chlorobut-2-yn-1-ol 
• 50-00-0 formaldehyd 
• 628-71-7 1-Heptyne 
• 925-90-6 ethylmagnesium bromide 
• 36602-98-9 2-(oct-2-yn-1-yloxy)tetrahydro-2H-pyran 
• 557-68-6 iodobromomethane 
• 16491-64-8 2-octin-1-yl acetate 
• 55944-50-8 1,3-dilithiohept-1-yne 
• 110-53-2 1-Bromopentane 
• 107-19-7 propargyl alcohol 
• 111-12-6 methyl 2-octynoate 
• 61307-38-8 1-heptynylmagnesium bromide 
• 628-17-1 amyl iodide 

Downstream Products

• 18495-27-7 1-bromooct-2-yne 
• 1846-68-0 oct-2-ynal 
• 18409-17-1 (E)-oct-2-en-1-ol 
• 25466-54-0 (Z)-1-bromo-2-octene 
• 871-91-0 oct-7-yn-1-ol 
• 56318-83-3 (E)-1-bromo-oct-2-ene 
• 66901-42-6 ethyl-(E)-dec-2-en-4-yn-oate 
• 935866-08-3 (2S,3R)-2,3-epoxyoct-1-yl tosylate 
• 52708-03-9 (S)-4-nonanol 
• 2825-91-4 (R)-δ-decalactone 
• 107797-26-2 (R)-5-Hexyl-dihydro-furan-2-one 
• 570397-31-8 1-{[(3E)-dec-3-en-9-ynyloxy]methyl}-4-methoxybenzene 
• 570397-32-9 (3S,4S)-1-[(4-methoxybenzyl)oxy]dec-9-yne-3,4-diol 
• 570397-33-0 (4S,5S)-(4-hex-5-ynyl)-5-{2-[(4-methoxybenzyl)oxy]ethyl}-2,2-dimethyl-1,3-dioxolane 

Relevant articles and documents

-

-

Transmetallation from aluminum to tin: A facile preparation of tributylstannylprop-2-en-1-ols

3-Substituted 3-tributylstannylprop-2-en-1-ols 2 can be efficiently prepared by hydroalumination of 3-substituted propargyl alcohols 1 with LiAlH4 and subsequent transmetallation to tin employing Bu3SnOMe instead of the commonly used Bu3SnOTf or Bu3SnCl.

Chemoselective Oxidation of p-Methoxybenzyl Ethers by an Electronically Tuned Nitroxyl Radical Catalyst

The oxidation of p-methoxy benzyl (PMB) ethers was achieved using nitroxyl radical catalyst 1, which contains electron-withdrawing ester groups adjacent to the nitroxyl group. The oxidative deprotection of the PMB moieties on the hydroxy groups was observed upon treatment of 1 with 1 equiv of the co-oxidant phenyl iodonium bis(trifluoroacetate) (PIFA). The corresponding carbonyl compounds were obtained by treating the PMB-protected alcohols with 1 and an excess of PIFA.

Catalyst-Free Annulation of 2-Pyridylacetates and Ynals with Molecular Oxygen: An Access to 3-Acylated Indolizines

A catalyst and additive-free annulation of 2-pyridylacetates and ynals under molecular oxygen was the first developed, affording 3-acylated indolizines in good to excellent yields. Molecular oxygen was used as the source of the carbonyl oxygen atom in indolizines. This approach was compatible with a wide range of functional groups, and especially it has been successfully extended to unsaturated double bonds and triple bonds, which were difficult to prepare by previous methods in a single step.