2-Butyl-2-ethyl-1,3-propanediol - ≥99%(GC) , CAS No.115-84-4

CAS: 115-84-4 Cat. No.: B197039 Peso molecular: 160.26 Número EC: 204-111-7

GRADE & PURITY ≥99%(GC)

Synonyms

UNII-61P3KJ8K4Y | 2-Butyl-2-ethylpropanediol | 2-Ethyl-2-butyl-1,3-propanediol | 1,3-PROPANEDIOL, 2-BUTYL-2-ETHYL- | 2-Ethyl-2-butyl-1,3-propanediole | BUTYL ETHYL PROPANE DIOL (BEPG) | MFCD00004697 | 2-butyl-2-ethylpropane-1,3-diol | 2-Ethyl-2-(hydroxyme

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Butyl-2-ethyl-1,3-propanediol undergoes bulk polycondensation with diacid monomer (terephthalic acid) to yield poly(ethylene terephthalate) copolymers.
2-Butyl-2-ethyl-1,3-propanediol was used in the synthesis of polyesters.

Specifications

Sinónimos

UNII-61P3KJ8K4Y | 2-Butyl-2-ethylpropanediol | 2-Ethyl-2-butyl-1, 3-propanediol | 1, 3-PROPANEDIOL, 2-BUTYL-2-ETHYL- | 2-Ethyl-2-butyl-1, 3-propanediole | BUTYL ETHYL PROPANE DIOL (BEPG) | MFCD00004697 | 2-butyl-2-ethylpropane-1, 3-diol | 2-Ethyl-2-(hydroxyme

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCC(CC)(CO)CO
• IUPAC Name: 2-butyl-2-ethylpropane-1,3-diol
• InChIKey: DSKYSDCYIODJPC-UHFFFAOYSA-N
• INCHI: 1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
• Isómeros SMILES: CCCCC(CC)(CO)CO
• WGK Alemania: 1
• Peso molecular: 160.26
• Reaxy-Rn: 1737392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 276.8 °F
• Punto de inflamación (°C): 136 °C
• Punto de ebullición (°C): 178 °C/50 mmHg(lit.)
• Punto de fusión (°C): 41-44°C
• Peso molecular: 160.250 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 160.146 Da
• Monoisotopic Mass: 160.146 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 87.600
• 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

Referencias

1. Junying Hu, Qi Xiong, Longjun Chen, Chenfeng Zhang, Ziqi Zheng, Shuai Geng, Zhi Yang, Xiankang Zhong.  (2020)  Corrosion inhibitor in CO2-O2-containing environment: Inhibition effect and mechanisms of Bis(2-ehylhexyl) phosphate for the corrosion of carbon steel.  CORROSION SCIENCE,      [PMID:] [10.1016/j.corsci.2020.109173]