(−)-Methyl (R)-3-hydroxyvalerate - ≥98%(GC), used for Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid.: This research outlines the synthesis of a single-enantiome

CAS: 60793-22-8 Cat. No.: M465384 Formule: C₆H₁₂O₃ Poids moléculaire: 132.16

GRADE & PURITY ≥98%(GC)

Synonyms

XHFXKKFVUDJSPJ-RXMQYKEDSA-N | (R)-methyl 3-hydroxypentanoate | (-)-Methyl (R)-3-hydroxyvalerate | AKOS015842056 | EN300-1847379 | Pentanoic acid,3-hydroxy-,methyl ester,(3R)- | (-)-Methyl (R)-3-hydroxyvalerate, >=98.0% (sum of enantiomers, GC) | METHYL (3

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

XHFXKKFVUDJSPJ-RXMQYKEDSA-N | (R)-methyl 3-hydroxypentanoate | (-)-Methyl (R)-3-hydroxyvalerate | AKOS015842056 | EN300-1847379 | Pentanoic acid,3-hydroxy-,methyl ester,(3R)- | (-)-Methyl (R)-3-hydroxyvalerate, >=98.0% (sum of enantiomers, GC) | METHYL (3

Spécifications et pureté

≥98%(GC)

Application

Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid.: This research outlines the synthesis of a single-enantiomer pheromone compound using (S)-2-methoxy-2-(1-naphthyl

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Note

Chiral building block for EPC syntheses; selective anti-alkylation of its dianion; OH protection and reduction of ester group to aldehyde or alcohol functions; stereoselective preparation of a dioxanone with pivalaldehyde

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488197746

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197746

Sourires canoniques

CCC(CC(=O)OC)O

IUPAC Name

methyl (3R)-3-hydroxypentanoate

InChIKey

XHFXKKFVUDJSPJ-RXMQYKEDSA-N

INCHI

1S/C6H12O3/c1-3-5(7)4-6(8)9-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

132.16

Reaxy-Rn

1924391

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924391&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid methyl esters Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive;heat sensitive
• Indice de réfraction: n20/D 1.427
• Point d'éclair (°F): 168.8 °F
• Point d'éclair (°C): 76 °C
• Point d'ébullition (°C): 68-70 °C/5 mmHg (lit.)
• Poids moléculaire: 132.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.300
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 60793-22-8, the molecular formula is C6H12O3, and the molecular weight is 132.16 g/mol. InChIKey XHFXKKFVUDJSPJ-RXMQYKEDSA-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.