4-Heptylphenol - ≥98%(GC) , CAS No.1987-50-4

CAS: 1987-50-4 Cat. No.: H132819 Summenformel: C₁₃H₂₀O Molekulargewicht: 192.3 Beilstein Registry Number: 6(3)2026 EG-Nummer: 217-862-0

GRADE & PURITY ≥98%(GC)

Synonyms

P-HYDROXY-N-HEPTYLBENZENE | p-n-Heptylphenol | Phenol, 4-heptyl- | I743Z35DVB | EC 276-743-1 | SCHEMBL184174 | p-Heptylphenol | AKOS002685653 | p-Hydroxyheptylbenzene | DTXCID209036 | H0615 | PHENOL, P-HEPTYL- | 4-Heptylphenol # | CAS-1987-50-4 | 4-(Hept-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

P-HYDROXY-N-HEPTYLBENZENE | p-n-Heptylphenol | Phenol, 4-heptyl- | I743Z35DVB | EC 276-743-1 | SCHEMBL184174 | p-Heptylphenol | AKOS002685653 | p-Hydroxyheptylbenzene | DTXCID209036 | H0615 | PHENOL, P-HEPTYL- | 4-Heptylphenol # | CAS-1987-50-4 | 4-(Hept-

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488182211

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182211

Kanonisches Lächeln

CCCCCCCC1=CC=C(C=C1)O

IUPAC Name

4-heptylphenol

InChIKey

KNDDEFBFJLKPFE-UHFFFAOYSA-N

INCHI

1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3

Isomere SMILES

CCCCCCCC1=CC=C(C=C1)O

Molekulargewicht

192.3

Beilstein

6(3)2026

Reaxy-Rn

1941444

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941444&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 Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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: phenols

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

Zugehörige Ziele (nicht menschlich)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Empfindlichkeit: air sensitive
• Brechungsindex: 1.5070
• Siedepunkt (°C): 156℃
• Schmelzpunkt (°C): 28℃
• Molekulargewicht: 192.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 192.151 Da
• Monoisotopic Mass: 192.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 125.000
• 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