2-Hydroxypropyl acetate - ≥95% , CAS No.627-69-0

CAS: 627-69-0 Cat. No.: H695133 Formule: C₅H₁₀O₃ Poids moléculaire: 118.13 Numéro CE: 613-080-2 PubChem CID: 94182

GRADE & PURITY ≥95%

Synonyms

Aceticacid2-hydroxypropylester | Propyleneglycol1-acetate | 1-Acetoxy-2-hydroxypropane | 1,2-PropaChemicalbooknediol1-acetate | 1,2-Propyleneglycol1-monoacetate | 1-Acetoxy-2-propanol

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Aceticacid2-hydroxypropylester | Propyleneglycol1-acetate | 1-Acetoxy-2-hydroxypropane | 1,2-PropaChemicalbooknediol1-acetate | 1,2-Propyleneglycol1-monoacetate | 1-Acetoxy-2-propanol

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC(COC(=O)C)O
• IUPAC Name: 2-hydroxypropyl acetate
• InChIKey: PPPFYBPQAPISCT-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3
• Isomères SMILES: CC(COC(=O)C)O
• PubChem CID: 94182
• Poids moléculaire: 118.13

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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 118.130 g/mol
• XLogP3: -0.200
• 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