Ethyl 2-butynoate

HCID 78043CAS 4341-76-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC#CC(=O)OCC
InChIKey
FCJJZKCJURDYNF-UHFFFAOYSA-N
Molecular formula
C6H8O2
Average molar mass
112.13 g/mol
Monoisotopic mass
112.05242949

Names & identifiers

Preferred name
Ethyl 2-butynoate
IUPAC
ethyl but-2-ynoate
English name
Ethyl 2-butynoate
Molecular formula
C6H8O2
Molecular weight
112.13

Names & synonyms

Ethyl 2-butynoate4341-76-8Ethyl tetrolate6UG3A7S3GBDTXSID20195846RefChem:594264DTXCID60118337224-395-6ethyl but-2-ynoate2-Butynoic Acid Ethyl Ester2-Butynoic acid, ethyl esterbut-2-ynoic acid ethyl ester
Show more names
2-butynoateEthyl ButynoateEthyltetrolate,Tethyle2-butynoateEthyl2-butynoate,98+%Ethyl 2-butynoate, 95%Ethyl 3-methylpropiolate
MFCD00015182ETHYL-2-BUTYNOATETetrolic Acid Ethyl EsterEthyl 2-butynoate, 98%ethyl but-2-ynoatAS-14742T1052Ethyl2-butynoate

Database identifiers

CAS
4341-76-8
PubChem CID
78043
DTXSID
DTXSID20195846
ChEMBL
CHEMBL4094027
UNII
6UG3A7S3GB
EC Number
224-395-6
Nikkaji
J2.513.905D、J205.719K

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
8

Physicochemical properties

Boiling point
160 · 160-161 °C/730 mmHg (lit.)
Density
0.962 g/mL · 0.962 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.436(lit.)
Flash point
145 °F · 145 °F
storage temp.
2 · Inert atmosphere,2-8°C
solubility
Chloroform, Ethyl Acetate

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (10.4%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (10.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Safety data

F
10-23
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
1993
hs_code
29161900
risk_code
36/37/38

Chemistry & industry

Applications · 3 items

UsesEthyl 2-butynoate is used as a precursor for the synthesis of 3-ethyl, 1-methyl 1-(2-nitrophenyl)-cyclopent-3-ene-1,3-dicarboxylate, alkenylsilanols and tricyclic aziridine derivatives. It acts as a methanogenesis inhibitor. As an electron deficient alkyne derivative, it plays a vital role in the preparation of 1,3-dienes catalyzed by rhodium(I)/H8-BINAP complex.

UsesEthyl 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 derivativesalkenylsilanols

General DescriptionEthyl 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.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

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Linked notes

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