Formiate de propyle - ≥95%(GC) , CAS No.110-74-7

CAS: 110-74-7 Cat. No.: P160055 Formule: C₄H₈O₂ Poids moléculaire: 88.11 Beilstein Registry Number: 1739270 Numéro CE: 203-798-0 PubChem CID: 8073

GRADE & PURITY ≥95%(GC)

Synonyms

BRN 1739272 | F0058 | Propyl formates | STL280312 | FEMA 2943 | Formiate de propyle | Q421045 | Propyl ester of formic acid | Propyl formates [UN1281] [Flammable liquid] | MFCD00003295 | Formiate de propyle [French] | Formic Acid Propyl Ester | n-Propyl f

Storage

Température ambiante

Shipped In

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Vue d’ensemble

Le formiate de propyle a été utilisé dans la synthèse des radicaux - CH3CH2CHOCHO, CH3CHCH2OCHO, et CH2CH2CH2OCHO par la méthode de génération de radicaux TiCl3.H2O2

Specifications

Synonymes

BRN 1739272 | F0058 | Propyl formates | STL280312 | FEMA 2943 | Formiate de propyle | Q421045 | Propyl ester of formic acid | Propyl formates [UN1281] [Flammable liquid] | MFCD00003295 | Formiate de propyle [French] | Formic Acid Propyl Ester | n-Propyl f

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Température ambiante

Expédié en

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Pureté

≥95%(GC)

Noms et identifiants

• Pubchem Sid: 488180681
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180681
• Sourires canoniques: CCCOC=O
• IUPAC Name: propyl formate
• InChIKey: KFNNIILCVOLYIR-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
• Isomères SMILES: CCCOC=O
• WGK Allemagne: 1
• RTECS: LR0175000
• PubChem CID: 8073
• Numéro ONU: 1281
• Groupe d'emballage: II
• Poids moléculaire: 88.11
• Beilstein: 1739270
• Reaxy-Rn: 1739272

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: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water; Miscible with Alcohol,Ether
• Point d'éclair (°F): 26.6 °F
• Point d'éclair (°C): 0°C
• Point d'ébullition (°C): 81°C
• Point de fusion (°C): -93°C
• Poids moléculaire: 88.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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