4-Amylphenol - ≥98%(GC) , CAS No.14938-35-3

CAS: 14938-35-3 Cat. No.: A131897 Fórmula: C₁₁H₁₆O Peso molecular: 164.25 Beilstein Registry Number: 6(3)1950 Número CE: 239-015-4

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00020211 | 4-PENTYLPHENOL | 4-Pentyl-phenol | p-Hydroxy-n-pentylbenzene | AS-15901 | 4-Pentylphenol, >=98.0% (GC) | 4-N-PENTYLPHENOL-2,3,5,6-D4, OD | BRN 1364424 | DTXSID9044164 | p-n-Amylphenol | DTXCID7024164 | 4-N-PENTYLPHENOL-D16 | AKOS000121477 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

MFCD00020211 | 4-PENTYLPHENOL | 4-Pentyl-phenol | p-Hydroxy-n-pentylbenzene | AS-15901 | 4-Pentylphenol, >=98.0% (GC) | 4-N-PENTYLPHENOL-2,3,5,6-D4, OD | BRN 1364424 | DTXSID9044164 | p-n-Amylphenol | DTXCID7024164 | 4-N-PENTYLPHENOL-D16 | AKOS000121477 |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488183032
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183032
• Sorrisos canónicos: CCCCCC1=CC=C(C=C1)O
• IUPAC Name: 4-pentylphenol
• InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
• INCHI: 1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
• SMILES isoméricas: CCCCCC1=CC=C(C=C1)O
• WGK Alemanha: 3
• RTECS: SM6750000
• Peso molecular: 164.25
• Beilstein: 6(3)1950
• Reaxy-Rn: 1364424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364424&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 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
• 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: 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

Alvos associados (não humanos)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

L1210 (27553 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light and Air sensitive
• Índice de refração: 1.52
• Ponto de inflamação (°F): 271°F
• Ponto de inflamação (°C): 133℃
• Ponto de ebulição (°C): 250 °C
• Ponto de fusão (°C): 22 °C
• Peso molecular: 164.240 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 164.12 Da
• Monoisotopic Mass: 164.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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

Referências

1. Fangjie Wang, Xiaoning Chen, Huichen Li, Bowen Huang, Yu He, Zongwei Cai.  (2023)  Determination of Alkylphenols in Atmospheric Fine Particulates in Taiyuan and Guangzhou based on atmospheric pressure gas chromatography-tandem mass spectrometry.  ATMOSPHERIC ENVIRONMENT,      [PMID:] [10.1016/j.atmosenv.2023.119928]

2. Yan Wu, Panpan Cao, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107933]

3. Kaixing Luo, Yu Luo, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Hydrophobic and hydrophilic selectivity of a multifunctional carbonyldiimidazolium/dodecyl modified silica stationary phase.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35810643] [10.1016/j.chroma.2022.463300]

4. Yan Wu, Kaixing Luo, Yanjuan Liu, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Innovative preparation of ureido/dodecyl dual-functionalized silica as a versatile mixed-mode stationary phase for high-resolution chromatographic separations.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35085896] [10.1016/j.chroma.2022.462834]

5. Senwei Jiang, Hangzhen Lan, Zhen Wu, Daodong Pan, Yichun Wu.  (2024)  Adsorption of alkylphenols by post-modified UiO-66: Adsorption characteristics and mechanism.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.140422]

6. Peixun Yang, Senwei Jiang, Zhen Wu, Daodong Pan, Hangzhen Lan.  (2024)  Core-shell MIL-53(Al)–NH2@UiO-66 coated solid-phase microextraction Arrow for the selective enrichment of nine alkylphenols in milk.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111874]

7. Gu Chuanqi, Dai Ying, Lai Qifeng, Zhong Xing, Li Zhuyao, Tao Qinqin.  (2026)  Synergistic enhancement of strontium extraction by open-chain polyether ligands in [Cnmim][NTf2] ionic liquids: a combined experimental and theoretical study.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,      [PMID:] [10.1007/s10967-026-11109-2]