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mono-Methyl hydrogen succinate - 95%, high purity , CAS No.3878-55-5

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 3878-55-5
Molecular Weight: 132.11
Beilstein Registry Number: 1722669
EC Number: 223-408-2
MDL number: MFCD00002788
PubChem CID: 77487

In stock

Item Number

M409477

Grouped product items
SKU	Size	Availability	Price	Qty
M409477-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
M409477-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$186.90

Basic Description

Synonyms	4-Methoxy-4-oxobutanoic acid \| Monomethyl succinate \| 3878-55-5 \| Mono-Methyl Succinate \| Succinic acid monomethyl ester \| Methyl hydrogen succinate \| Succinic acid, monomethyl ester \| 3-Carbomethoxypropanoic acid \| Butanedioic acid, monomethyl ester \| mono-Methyl hydrogen
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	An ester for proteomics research.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid methyl esters
Alternative Parents	Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - 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 fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
External Descriptors	dicarboxylic acid monoester
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

Names and Identifiers

IUPAC Name	4-methoxy-4-oxobutanoic acid
INCHI	InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey	JDRMYOQETPMYQX-UHFFFAOYSA-N
Smiles	COC(=O)CCC(=O)O
Isomeric SMILES	COC(=O)CCC(=O)O
WGK Germany	3
Molecular Weight	132.11
Beilstein	1722669
Reaxy-Rn	1722669
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722669&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Boil Point(°C)	151°C/20mmHg
Melt Point(°C)	54-57°C
Molecular Weight	132.110 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	132.042 Da
Monoisotopic Mass	132.042 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118.000
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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