Methyl 2-octynoate

Base Information

Chemical Name:Methyl 2-octynoate
CAS No.:111-12-6
Deprecated CAS:53073-28-2
Molecular Formula:C9H14 O2
Molecular Weight:154.209
Hs Code.:29161900
European Community (EC) Number:203-836-6
NSC Number:72098
UNII:0TTP6YT2T3
DSSTox Substance ID:DTXSID9047093
Nikkaji Number:J22.135J
Wikidata:Q27237243
RXCUI:1313237
Metabolomics Workbench ID:44803
ChEMBL ID:CHEMBL3185035
Mol file:111-12-6.mol

Synonyms:methyl 2-octynoate;methyl heptine carbonate

Suppliers and Price of Methyl 2-octynoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Methyl 2-Octynoate
1g
$ 312.00

TRC
Methyl 2-octynoate
1g
$ 45.00

TCI Chemical
Methyl 2-Octynoate >98.0%(GC)
25mL
$ 46.00

Sigma-Aldrich
Methyl 2-octynoate ≥99%, stabilized, FCC, FG
1 kg
$ 337.00

Sigma-Aldrich
Methyl 2-octynoate ≥99%, stabilized, FCC, FG
1kg-k
$ 327.00

Sigma-Aldrich
Methyl 2-octynoate 99%
25ml
$ 61.70

Sigma-Aldrich
Methyl 2-octynoate ≥99%, stabilized, FCC, FG
100 g
$ 61.00

Sigma-Aldrich
Methyl 2-octynoate ≥99%, stabilized, FCC, FG
100g-k
$ 61.00

Sigma-Aldrich
Methyl 2-octynoate analytical standard
1ml
$ 55.20

Sigma-Aldrich
Methyl 2-octynoate ≥99%,stabilized,FCC,FG
1 SAMPLE-K
$ 50.00

Total 81 raw suppliers

Chemical Property of Methyl 2-octynoate

Chemical Property:

Appearance/Colour:colorless liquid
Vapor Pressure:0.125mmHg at 25°C
Refractive Index:n20/D 1.446(lit.)
Boiling Point:217-220 °C(lit.)
Flash Point:192 °F
PSA：26.30000
Density:0.92 g/mL at 25 °C(lit.)
LogP:1.74310
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:154.099379685
Heavy Atom Count:11
Complexity:171

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-Octynoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCC#CC(=O)OC
Description Methyl 2-octynoate (also known as methyl 2-caprylate) is a kind of fatty acid ester formed by the esterfication between methanol and 2 -octynoate. It is a kind of useful flavor and fragrance agent. Methyl 2-octynoate has an odor similar to violets on dilution, and if concentrated, a powerful and unpleasant odor. It has a wineberry flavor (muscatel). It may be prepared from heptaldehyde via heptyne and heptyne carboxylic acid; the acid is subsequently esterified.
Uses Perfumery, flavoring. Methyl 2-octynoate may be used as a fragrance allergen standard for the quantification of the analyte in cosmetics using chromatography techniques.

Technology Process of Methyl 2-octynoate

There total 17 articles about Methyl 2-octynoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%