Butyl formate - ≥95% , CAS No.592-84-7

CAS: 592-84-7 Cat. No.: B109260 Formule: C₅H₁₀O₂ Poids moléculaire: 102.13 Beilstein Registry Number: 1742108 Numéro CE: 209-772-5

GRADE & PURITY ≥95%

Synonyms

n-Butyl methanoate | UNII-0Y9MZ7VM9P | F0051 | UN1128 | Q734815 | WLN: VHO4 | DTXSID2060468 | n-Butyl formate [UN1128] [Flammable liquid] | C21713 | AI3-25265 | NSC6969 | NSC-6969 | Butylester kyseliny mravenci | InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

Absolute rate coefficient for the reaction of Cl atom with butyl formate has been measured by laser photolysis-resonance fluorescence technique.

Specifications

Synonymes

n-Butyl methanoate | UNII-0Y9MZ7VM9P | F0051 | UN1128 | Q734815 | WLN: VHO4 | DTXSID2060468 | n-Butyl formate [UN1128] [Flammable liquid] | C21713 | AI3-25265 | NSC6969 | NSC-6969 | Butylester kyseliny mravenci | InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488181396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181396
• Sourires canoniques: CCCCOC=O
• IUPAC Name: butyl formate
• InChIKey: NMJJFJNHVMGPGM-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
• Isomères SMILES: CCCCOC=O
• WGK Allemagne: 1
• RTECS: LQ5500000
• Numéro ONU: 1128
• Groupe d'emballage: II
• Poids moléculaire: 102.13
• Beilstein: 1742108
• Reaxy-Rn: 1742108
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742108&ln=

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 benzene, acetone, and petroleum ether.
• Indice de réfraction: 1.39
• Point d'éclair (°F): 57.2 °F
• Point d'éclair (°C): 18℃
• Point d'ébullition (°C): 105-107 ℃
• Point de fusion (°C): -92℃
• Poids moléculaire: 102.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 43.300
• 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

Références

1. Jun Gao, Hong Li, Dongmei Xu, Lianzheng Zhang, Liwen Zhao, Chunlu Li.  (2016)  Isobaric Vapor–Liquid Equilibrium for Binary Systems of Thioglycolic Acid with Water, Butyl Acetate, Butyl Formate, and Isobutyl Acetate at 101.3 kPa.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.6b00686]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 592-84-7, the molecular formula is C5H10O2, and the molecular weight is 102.13 g/mol. InChIKey NMJJFJNHVMGPGM-UHFFFAOYSA-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.