2-ethyl hexyl lactate - ≥98% , CAS No.186817-80-1

CAS: 186817-80-1 Cat. No.: E696000 Fórmula: C₁₁H₂₂O₃ Peso molecular: 202.29 Número CE: 606-097-1

GRADE & PURITY ≥98%

Synonyms

(S)-2-Hydroxypropanoic acid (R,S)-2-ethylhexyl ester | (2S)-2-Ethylhexyl 2-hydroxypropanoate | 2-Ethylhexyl (2S)-2-hydroxypropanoate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(S)-2-Hydroxypropanoic acid (R,S)-2-ethylhexyl ester | (2S)-2-Ethylhexyl 2-hydroxypropanoate | 2-Ethylhexyl (2S)-2-hydroxypropanoate

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CCCCC(CC)COC(=O)C(C)O
• IUPAC Name: 2-ethylhexyl (2S)-2-hydroxypropanoate
• InChIKey: FECDACOUYKFOOP-RGURZIINSA-N
• INCHI: 1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10?/m0/s1
• SMILES isoméricas: CCCCC(CC)COC(=O)[C@H](C)O
• Peso molecular: 202.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriedades químicas e físicas

• Peso molecular: 202.290 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 202.157 Da
• Monoisotopic Mass: 202.157 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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