1,4-Pentadien-3-ol - ≥97%,Containing stabilizer hydroquinone , CAS No.922-65-6

CAS: 922-65-6 Cat. No.: P346741 Peso molecular: 84.12 Beilstein Registry Number: 1735809 Número EC: 213-080-9 PubChem CID: 70204

GRADE & PURITY ≥97%, Containing stabilizer hydroquinone

Synonyms

AKOS015915437 | SY236737 | EINECS 213-080-9 | 1,4-Pentadien-3-ol | BBL103212 | A844183 | divinylcarbinol | CCRIS 8963 | 1,4-Pentadien-3-ol, contains 0.4% hydroquinone as stabilizer, >=96% | Penta-1,4-dien-3-ol | STL557022 | EN300-98370 | Penta-1,4-dien-3-

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

1,4-Pentadien-3-ol is an useful building block in natural product synthesis. This chemical is a substrate employed in a synthesis of amino-substituted dienes via a bismuth-catalyzed SN1 displacement of alcohols by sulfonamide nucleophiles. Starting material for asymmetric epoxidation.

Specifications

Sinónimos

AKOS015915437 | SY236737 | EINECS 213-080-9 | 1, 4-Pentadien-3-ol | BBL103212 | A844183 | divinylcarbinol | CCRIS 8963 | 1, 4-Pentadien-3-ol, contains 0.4% hydroquinone as stabilizer, >=96% | Penta-1, 4-dien-3-ol | STL557022 | EN300-98370 | Penta-1, 4-dien-3-

Especificaciones y pureza

≥97%, Containing stabilizer hydroquinone

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Propiedades del producto

• pKa: pKa: 13.68

Nombres e identificadores

• Pubchem Sid: 504754501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754501
• Sonrisas canónicas: C=CC(C=C)O
• IUPAC Name: penta-1,4-dien-3-ol
• InChIKey: ICMWSAALRSINTC-UHFFFAOYSA-N
• INCHI: 1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2
• Isómeros SMILES: C=CC(C=C)O
• WGK Alemania: 3
• PubChem CID: 70204
• Número ONU: 1987
• Grupo de embalaje: III
• Peso molecular: 84.12
• Beilstein: 1735809

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

• Solubilidad: Soluble in water (partly miscible).
• Sensibilidad: Light sensitive
• Índice de refracción: n20D1.45 (lit.)
• Punto de inflamación (°F): 89.6 °F
• Punto de inflamación (°C): 32℃
• Punto de ebullición (°C): 115-116° C (lit.)
• Punto de fusión (°C): -66.47° C (Predicted)
• Peso molecular: 84.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.0575 Da
• Monoisotopic Mass: 84.0575 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.000
• 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