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

CAS: 922-65-6 Cat. No.: P346741 Molecular Weight: 84.12 Beilstein Registry Number: 1735809 EC Number: 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

Overview

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

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-

Specifications & Purity

≥97%, Containing stabilizer hydroquinone

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Product Properties

• pKa: pKa: 13.68

Names and Identifiers

• Pubchem Sid: 504754501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754501
• Canonical Smiles: 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
• Isomeric SMILES: C=CC(C=C)O
• WGK Germany: 3
• PubChem CID: 70204
• UN Number: 1987
• Packing Group: III
• Molecular Weight: 84.12
• Beilstein: 1735809

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (partly miscible).
• Sensitivity: Light sensitive
• Refractive Index: n20D1.45 (lit.)
• Flash Point(°F): 89.6 °F
• Flash Point(°C): 32℃
• Boil Point(°C): 115-116° C (lit.)
• Melt Point(°C): -66.47° C (Predicted)
• Molecular Weight: 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