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Methyl propiolate - 97%, high purity , CAS No.922-67-8

COA

Grade & Purity:

≥97%

Cas Number: 922-67-8
Molecular Weight: 84.07
Beilstein Registry Number: 605462
EC Number: 213-083-5
MDL number: MFCD00008572
PubChem CID: 13536
PubChem SID: 504752457

In stock

Item Number

M106792

Grouped product items
SKU	Size	Availability	Price
M106792-5ml	5ml	1	$34.90
M106792-25ml	25ml	2	$153.90
M106792-100ml	100ml	3	$554.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	NSC 154164 \| Propiolic Acid Methyl Ester \| 4-02-00-01688 (Beilstein Handbook Reference) \| SB40750 \| AI3-37828 \| MFCD00008572 \| InChI=1/C4H4O2/c1-3-4(5)6-2/h1H,2H \| AKOS000120024 \| methyl propargylate \| 2-Propynoic acid, methyl ester \| propiolic acid methy
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Usually used in the synthesis of polysubstituted 3-arylaminoacrylate and tetrahydropyrimidin-2-one derivatives,and also used as a thiol derivatizing agent for capillary electrophoresis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Alpha,beta-unsaturated carboxylic esters
        Level7 Ynoate esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent	Ynoate esters
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ynoate ester - Methyl ester - Acetylide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ynoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C#CC(=O)OR2 (R2= organyl compound) in which the ester C=O function is conjugated to a C#C double bond at the alpha,beta position.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752457
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752457
IUPAC Name	methyl prop-2-ynoate
INCHI	InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3
InChIKey	IMAKHNTVDGLIRY-UHFFFAOYSA-N
Smiles	COC(=O)C#C
Isomeric SMILES	COC(=O)C#C
WGK Germany	3
RTECS	UE0050000
UN Number	3272
Molecular Weight	84.07
Beilstein	605462
Reaxy-Rn	605462
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605462&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
B2514010	Certificate of Analysis	Nov 18, 2023	M106792
B2512101	Certificate of Analysis	Nov 18, 2023	M106792
L2301197	Certificate of Analysis	Nov 18, 2023	M106792
L2301198	Certificate of Analysis	Nov 18, 2023	M106792
L2301199	Certificate of Analysis	Nov 18, 2023	M106792
D1811183	Certificate of Analysis	Aug 07, 2023	M106792
I2207870	Certificate of Analysis	Aug 08, 2022	M106792
I2207868	Certificate of Analysis	Aug 08, 2022	M106792
I2207869	Certificate of Analysis	Aug 08, 2022	M106792

Chemical and Physical Properties

Solubility	Not miscible in water.
Sensitivity	Air sensitive
Refractive Index	1.408
Flash Point(°F)	60.8 °F
Flash Point(°C)	10℃
Boil Point(°C)	103-105°C
Molecular Weight	84.070 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	84.0211 Da
Monoisotopic Mass	84.0211 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	95.400
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

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