4-(1-Hydroxyethyl)phenol - ≥97% , CAS No.2380-91-8

CAS: 2380-91-8 Cat. No.: H192225 Fórmula: C₈H₁₀O₂ Peso molecular: 138.16

GRAU & PUREZA ≥97%

Synonyms

H1694 | 4-Hydroxy-alpha-methylbenzyl alcohol | 1-(p-Hydroxyphenyl) ethanol | Q27114094 | AKOS000249587 | 1-(4'-Hydroxyphenyl)ethanol | 1-(4-Hydroxyphenyl)ethanol | A816917 | 4-Hydroxyphenyl methyl carbinol | MFCD00016858 | W-107373 | 1-(P-hydroxyphenyl)et

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

H1694 | 4-Hydroxy-alpha-methylbenzyl alcohol | 1-(p-Hydroxyphenyl) ethanol | Q27114094 | AKOS000249587 | 1-(4'-Hydroxyphenyl)ethanol | 1-(4-Hydroxyphenyl)ethanol | A816917 | 4-Hydroxyphenyl methyl carbinol | MFCD00016858 | W-107373 | 1-(P-hydroxyphenyl)et

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488187312

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187312

Sorrisos canónicos

CC(C1=CC=C(C=C1)O)O

IUPAC Name

4-(1-hydroxyethyl)phenol

InChIKey

PMRFBLQVGJNGLU-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3

SMILES isoméricas

CC(C1=CC=C(C=C1)O)O

Peso molecular

138.16

Reaxy-Rn

2206157

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• External Descriptors: a phenol

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de ebulição (°C): 118°C/9mmHg
• Ponto de fusão (°C): 126.0to130.0℃
• Peso molecular: 138.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 95.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1