Methyl 3-hydroxy-2-methylpropanoate - ≥97% , CAS No.42998-03-8

CAS: 42998-03-8 Cat. No.: M589106 Summenformel: C₅H₁₀O₃ Molekulargewicht: 118.13 EG-Nummer: 815-864-1

GRADE & PURITY ≥97%

Synonyms

MFCD12194512 | (+)-Methyl L- | METHYL (R)-(-)-3-HYDROXY-2-METHYL- PROPI | -(-)-3-hydroxyisobutyric acid methyl ester | SB44374 | 3-Hydroxyisobutyric acid methyl ester | A-hydroxyisobutyrate | EN300-64195 | Methyl 3-hydroxy-2-methylpropanoate | Methyl3-hyd

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

MFCD12194512 | (+)-Methyl L- | METHYL (R)-(-)-3-HYDROXY-2-METHYL- PROPI | -(-)-3-hydroxyisobutyric acid methyl ester | SB44374 | 3-Hydroxyisobutyric acid methyl ester | A-hydroxyisobutyrate | EN300-64195 | Methyl 3-hydroxy-2-methylpropanoate | Methyl3-hyd

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508809075

Kanonisches Lächeln

CC(CO)C(=O)OC

IUPAC Name

methyl 3-hydroxy-2-methylpropanoate

InChIKey

ATCCIZURPPEVIZ-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC(CO)C(=O)OC

Molekulargewicht

118.13

Reaxy-Rn

1720829

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720829&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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: -0.100
• 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1