Acetona Acetal de dibutilo - ≥95%(GC) , CAS No.141-72-0

CAS: 141-72-0 Cat. No.: A151046 Fórmula: C₁₁H₂₄O₂ Peso molecular: 188.31 Número CE: 205-496-4

GRADE & PURITY ≥95%(GC)

Synonyms

1,1'-(Isopropylidenebis(oxy))dibutane | 1-(1-Butoxy-1-methylethoxy)butane # | Acetone di-n-butyl acetal | Butane,1'-[(1-methylethylidene)bis(oxy)]bis- | Butane, 1,1'-((1-methylethylidene)bis(oxy))bis- | c-(3-chloro-biphenyl-4-yl)-methylaminehydrochloride

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,1'-(Isopropylidenebis(oxy))dibutane | 1-(1-Butoxy-1-methylethoxy)butane # | Acetone di-n-butyl acetal | Butane,1'-[(1-methylethylidene)bis(oxy)]bis- | Butane, 1,1'-((1-methylethylidene)bis(oxy))bis- | c-(3-chloro-biphenyl-4-yl)-methylaminehydrochloride

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

508811709

Sorrisos canónicos

CCCCOC(C)(C)OCCCC

IUPAC Name

1-(2-butoxypropan-2-yloxy)butane

InChIKey

CXBFTMAIVDLZLG-UHFFFAOYSA-N

INCHI

1S/C11H24O2/c1-5-7-9-12-11(3,4)13-10-8-6-2/h5-10H2,1-4H3

SMILES isoméricas

CCCCOC(C)(C)OCCCC

Peso molecular

188.31

Reaxy-Rn

1699823

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• Sensibilidade: Moisture sensitive
• Índice de refração: 1.41
• Ponto de inflamação (°C): 43 °C
• Ponto de ebulição (°C): 130°C(lit.)
• Peso molecular: 188.310 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 188.178 Da
• Monoisotopic Mass: 188.178 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 98.700
• 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