Acetone Dibutyl Acetal - ≥95%(GC) , CAS No.141-72-0

CAS: 141-72-0 Cat. No.: A151046 Formula: C₁₁H₂₄O₂ Peso molecolare: 188.31 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 508811709
• Sorrisi canonici: 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
• Isomeri SMILES: CCCCOC(C)(C)OCCCC
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.41
• Punto di infiammabilità (°C): 43 °C
• Punto di ebollizione (°C): 130°C(lit.)
• Peso molecolare: 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