425117

Ethyl 2-butynoate

98%

• Synonym(s): Ethyl tetrolate
• Linear Formula: CH₃C≡CC(O)OCH₂CH₃
• CAS Number: 4341-76-8
• Molecular Weight: 112.13
• Beilstein/REAXYS Number: 1744948
• EC Number: 224-395-6
• MDL number: MFCD00015182
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866611
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 98%
• form: liquid
• refractive index: n20/D 1.436 (lit.)
• bp: 160-161 °C/730 mmHg (lit.)
• density: 0.962 g/mL at 25 °C (lit.)
• functional group: ester
• SMILES string: CCOC(=O)C#CC
• InChI: 1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3
• InChI key: FCJJZKCJURDYNF-UHFFFAOYSA-N

Description

General description

Ethyl 2-butynoate, a 2-alkynoate is a methanogenesis inhibitor. It is an electron deficient internal alkyne that has been reported to undergo codimerization with alkenes to form 1,3-dienes catalyzed by rhodium(I)/H₈-BINAP complex. The annulation of thioamides with ethyl 2-butynoate catalyzed by tri-n-butylphosphine to form thiazolines has been investigated.

Application

Ethyl 2-butynoate was used in the study of its effect on in vitro degradation and microbial biomass production.
It may be used in the synthesis of the following:

• 3-ethyl, 1-methyl 1-(2-nitrophenyl)-cyclopent-3-ene-1,3-dicarboxylate
• tricyclic aziridine derivatives
• alkenylsilanols

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 143.6 °F - closed cup
• flash_point_c: 62 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter