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

CAS: 2380-91-8 Cat. No.: H192225 Summenformel: C₈H₁₀O₂ Molekulargewicht: 138.16

GRADE & PURITY ≥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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488187312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187312
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C1=CC=C(C=C1)O)O
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 118°C/9mmHg
• Schmelzpunkt (°C): 126.0to130.0℃
• Molekulargewicht: 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