2-tert-Butyl-4-methylphenol - ≥97% , CAS No.2409-55-4

CAS: 2409-55-4 Cat. No.: B623083 Peso molecular: 164.24 Beilstein Registry Number: 1817645 Número EC: 219-314-6

GRADE & PURITY ≥97%

Synonyms

2-tert-Butyl-4-methylphenol|2409-55-4|2-(tert-butyl)-4-methylphenol|2-tert-Butyl-p-cresol|4-Methyl-2-tert-butylphenol|o-tert-Butyl-p-cresol|p-Cresol, 2-tert-butyl-|2-t-Butyl-p-cresol|4-Methyl-6-t-butylphenol|2-T-BUTYL-4-METHYLPHENOL|2-Terc.butyl-p-kresol|

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-tert-Butyl-4-methylphenol | 2409-55-4 | 2-(tert-butyl)-4-methylphenol | 2-tert-Butyl-p-cresol | 4-Methyl-2-tert-butylphenol | o-tert-Butyl-p-cresol | p-Cresol, 2-tert-butyl- | 2-t-Butyl-p-cresol | 4-Methyl-6-t-butylphenol | 2-T-BUTYL-4-METHYLPHENOL | 2-Terc.butyl-p-kresol |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1)O)C(C)(C)C
• IUPAC Name: 2-tert-butyl-4-methylphenol
• InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N
• INCHI: 1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
• Isómeros SMILES: CC1=CC(=C(C=C1)O)C(C)(C)C
• WGK Alemania: 2
• RTECS: GO7000000
• Número ONU: 2811
• Peso molecular: 164.24
• Beilstein: 1817645
• Reaxy-Rn: 1817645
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817645&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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)

Mus musculus (284745 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

• Sensibilidad: light sensitive; air sensitive;Moisture sensitive
• Índice de refracción: 1.4963
• Punto de inflamación (°F): 212 °F
• Punto de inflamación (°C): 100 °C
• Punto de ebullición (°C): 232.7°C
• Punto de fusión (°C): 52°C
• Peso molecular: 164.240 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 146.000
• 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

Referencias

1. Zhefei Hu, Yanhao Jiang, Panpan Cao, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2023)  Performance evaluation of 2-undecylimidazole/propyl methacrylate bifunctional silica gel for mixed-mode reversed-phase/anion-exchange chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108768]

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. Baolong Wang, Huanqin Zhao, Liying Wang, Junmin Sun, Yongfeng Zhang, Zhenzhu Cao.  (2017)  Immortal ring-opening polymerization of lactides with super high monomer to catalyst ratios initiated by zirconium and titanium complexes containing multidentate amino-bis(phenolate) ligands.  NEW JOURNAL OF CHEMISTRY,  41  (13): (5669-5677).  [PMID:] [10.1039/C7NJ00483D]

4. 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]

5. Xu-Hui Huang, Yu-Ying Zhang, Ming Zhu, Da-Yong Zhou, Ming Du, Bei-Wei Zhu, Xiu-Ping Dong, Ian Fisk, Lei Qin.  (2020)  The effects of different extraction methods on the aroma fingerprint, recombination and visualization of clam soup.  Food & Function,  12  (4): (1626-1638).  [PMID:33476357] [10.1039/D0FO02615H]