1,4-Benzenedimethanol - ≥99% , CAS No.589-29-7

CAS: 589-29-7 Cat. No.: B107001 Peso molecular: 138.16 Beilstein Registry Number: 2042077 Número EC: 209-641-2

GRADE & PURITY ≥99%

Synonyms

1,4-PHENYLENEDICARBINOL | p-Benzenedimethanol | p-Phenylenedimethanol | 1,4-benzenedimethanol; p-phenylenedimethanol; p-xylene-alpha,alpha'-diol; p-xylylene glycol | AKOS009159500 | BENZENE-1,4-DIMETHANOL | 1,4-Dimethylolbenzene | AC-12623 | EN300-55336 |

Storage

Room temperature

Shipped In

Normal

Descripción general

1,4-Benzenedimethanol can be used to prepare: Poly(6-methyl-ε-caprolactone), which is a key intermediate for the synthesis of polylactide based thermoplastic elastomers. A Highly cross-linked polymer named HCP−BDM (hyper cross-linked polymer-1,4-benzenedimethanol) via Friedel−Crafts alkylation in the presence of Lewis acid. Sulfonated polynuclear aromatic resins.

Specifications

Sinónimos

1, 4-PHENYLENEDICARBINOL | p-Benzenedimethanol | p-Phenylenedimethanol | 1, 4-benzenedimethanol; p-phenylenedimethanol; p-xylene-alpha, alpha'-diol; p-xylylene glycol | AKOS009159500 | BENZENE-1, 4-DIMETHANOL | 1, 4-Dimethylolbenzene | AC-12623 | EN300-55336 |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181363
• Sonrisas canónicas: C1=CC(=CC=C1CO)CO
• IUPAC Name: [4-(hydroxymethyl)phenyl]methanol
• InChIKey: BWVAOONFBYYRHY-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
• Isómeros SMILES: C1=CC(=CC=C1CO)CO
• WGK Alemania: 3
• Peso molecular: 138.16
• Beilstein: 2042077
• Reaxy-Rn: 2042077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ether, toluene, methanol and hot water.
• Punto de ebullición (°C): 138-143℃
• Punto de fusión (°C): 117-121°C
• Peso molecular: 138.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 73.300
• 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

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