Methyl (S)-2-hydroxybutanoate - ≥95% , CAS No.73349-08-3

CAS: 73349-08-3 Cat. No.: M590030 Summenformel: C₅H₁₀O₃ Molekulargewicht: 118.13 EG-Nummer: 800-614-6

GRADE & PURITY ≥95%

Synonyms

(S)-Methyl 2-hydroxybutanoate | DDMCDMDOHABRHD-BYPYZUCNSA-N | METHYL (S)-2-HYDROXYBUTYRATE | methyl (2S)-2-hydroxybutanoate | (S)-Methyl-2-hydroxybutanoate | (S)-Methyl2-hydroxybutanoate | methyl (S)-2-hydroxybutanoate | DTXSID20430704 | methyl-(3s)-(+)-h

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

(S)-Methyl 2-hydroxybutanoate | DDMCDMDOHABRHD-BYPYZUCNSA-N | METHYL (S)-2-HYDROXYBUTYRATE | methyl (2S)-2-hydroxybutanoate | (S)-Methyl-2-hydroxybutanoate | (S)-Methyl2-hydroxybutanoate | methyl (S)-2-hydroxybutanoate | DTXSID20430704 | methyl-(3s)-(+)-h

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504764845

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764845

Kanonisches Lächeln

CCC(C(=O)OC)O

IUPAC Name

methyl (2S)-2-hydroxybutanoate

InChIKey

DDMCDMDOHABRHD-BYPYZUCNSA-N

INCHI

1S/C5H10O3/c1-3-4(6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1

Isomere SMILES

CC[C@@H](C(=O)OC)O

Molekulargewicht

118.13

Reaxy-Rn

1720822

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720822&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 118.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 79.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 73349-08-3, the molecular formula is C5H10O3, and the molecular weight is 118.13 g/mol. InChIKey DDMCDMDOHABRHD-BYPYZUCNSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.