2,4-Di-tert-butylphenol - ≥97% , CAS No.96-76-4

CAS: 96-76-4 Cat. No.: D104351 Peso molecular: 206.32 Beilstein Registry Number: 1910383 Número EC: 202-532-0

GRADE & PURITY ≥97%

Synonyms

D0229 | WLN: 1X1&1&R BQ CX1&1&1 | ?2,4-Di-tert-butylphenol | AS-13983 | 1-Hydroxy-2, 4-di-tert-butylbenzene | NCGC00259869-01 | Phenol,2,4-Bis(1,1-dimethylethyl) | A845633 | 2,4-ditertbutylphenol | 2,4-di-tertbutylphenol | 2,4-Di-tert-butylphenol | 2,4-Di

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Descripción general

2,4-Di-tert-butylphenol is isolated from the dried body of Scolopendra and possess antioxidative activity.

Specifications

Sinónimos

D0229 | WLN: 1X1&1&R BQ CX1&1&1 | ?2, 4-Di-tert-butylphenol | AS-13983 | 1-Hydroxy-2, 4-di-tert-butylbenzene | NCGC00259869-01 | Phenol, 2, 4-Bis(1, 1-dimethylethyl) | A845633 | 2, 4-ditertbutylphenol | 2, 4-di-tertbutylphenol | 2, 4-Di-tert-butylphenol | 2, 4-Di

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Desiccated, Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488180380
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180380
• Sonrisas canónicas: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
• IUPAC Name: 2,4-ditert-butylphenol
• InChIKey: ICKWICRCANNIBI-UHFFFAOYSA-N
• INCHI: 1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
• Isómeros SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
• WGK Alemania: 2
• RTECS: SK8260000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 206.32
• Beilstein: 1910383
• Reaxy-Rn: 1910383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910383&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: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - 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)

Xenopus laevis (337 Activities)

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Mus musculus (284745 Activities)

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L1210 (27553 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol, ether, acetone, chloroform. 2,4-Di-tert-butylphenol. Insoluble in water.
• Sensibilidad: Light sensitive.
• Punto de inflamación (°F): 239 °F
• Punto de inflamación (°C): 129℃
• Punto de ebullición (°C): 263°C
• Punto de fusión (°C): 54—58°C
• Peso molecular: 206.320 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 206.167 Da
• Monoisotopic Mass: 206.167 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• 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. Ruzhen Zhao, Ziwen Ying, Hao Sun, Qifeng Wei, Xiulian Ren.  (2023)  Extracting Li+ from high Na/Li solution and comparing the affinity of nonylphenol oxygen anion to Na+ and Li+.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.124189]

2. Haoyu Long, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2023)  Chromatographic separation performance of silica microspheres surface-modified with triazine-containing imine-linked covalent organic frameworks.  TALANTA,      [PMID:37126925] [10.1016/j.talanta.2023.124589]

3. 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]

4. Xiao-Na Zhu, Jie Li, Gao-Lin Qiu, Lin Wang, Chen Lu, Yi-Ge Guo, Ke-Xin Yang, Fang Cai, Tao Xu, Ti-Fei Yuan, Ji Hu.  (2023)  Propofol exerts anti-anhedonia effects via inhibiting the dopamine transporter.  NEURON,      [PMID:36917979] [10.1016/j.neuron.2023.02.017]

5. Haoran Feng, Min Liu, Taotao Tang, Ye Du, Bing Yao, Chengyu Yang, Changjie Yuan, Ying Chen.  (2022)  Insights into the efficient ozonation process focusing on 2,4-di-tert-butylphenol – A notable micropollutant of typical bamboo papermaking wastewater: Performance and mechanism.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36444060] [10.1016/j.jhazmat.2022.130346]

6. J.W. Yan, C. Hu, L.H. Tong, Z.X. Lei, Qin-Bao Lin.  (2019)  Migration test and safety assessment of polyurethane adhesives used for food-contact laminated films.  Food Packaging and Shelf Life,      [PMID:] [10.1016/j.fpsl.2019.100449]

7. Limei Fan, Qingqing Hao, Xianwen Kan.  (2017)  Three-dimensional graphite paper based imprinted electrochemical sensor for tertiary butylhydroquinone selective recognition and sensitive detection.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2017.10.085]

8. 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]

9. Junyi Wang, Ruifang Wang, Yan Gao, Jing Wang, Lina Qiao, Huijuan Li, Guohua Zhao, Ning Zhang, Hitao Chen, Jie Sun, Shuqi Wang.  (2025)  Analysis of dynamic flavor changes of volatile and non-volatile fractions analysis of black qingke (Hordeum vulgare L. var. nudum Hook. f.) during steaming process.  JOURNAL OF FOOD SCIENCE,  90  (2): (e17660).  [PMID:39929602] [10.1111/1750-3841.17660]

10. Peng Zhao, Zifu Wang, Shimei Liao, Yangxin Liao, Shijun Hu, Jianchun Qin, Donghua Zhang, Xiaohui Yan.  (2024)  Components in SLPE Alleviate AD Model Nematodes by Up-Regulating Gene gst-5.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  25  (18): (10188).  [PMID:39337674] [10.3390/ijms251810188]

11. Yuyan Wei, Ling Xie, Bertrand Muhoza, Qian Liu, Shiqing Song.  (2024)  Generation of Olfactory Compounds in Cat Food Attractants: Chicken Liver-Derived Protein Hydrolysates and Their Contribution to Enhancing Palatability.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38959426] [10.1021/acs.jafc.4c02871]

12. Ruofan Wang, Yanfu Yan, Wenjun Li, Zhiming Li.  (2025)  Preparation of Sn42Bi58 and Sn64.7Bi35Ag0.3 soldering pastes for Cu–Al direct soldering and study of their performance.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2025.130547]

13. Jing Wang, Ruifang Wang, Junyi Wang, Yan Gao, Lina Qiao, Ning Zhang.  (2025)  Recognition of characteristic aroma-active components in Qingke (highand barley) through flavoromics analysis.  FOOD CHEMISTRY,      [PMID:40602137] [10.1016/j.foodchem.2025.145262]

14. Xiaolei Li, Wanxin Wang, Yujia Li, Fumin Ma, Cuicui Duan, Dan Li.  (2026)  Deciphering flavor profile and metabolic pathways in black chokeberry Co-fermented by Lactiplantibacillus plantarum and Hansenula sp. via integrated volatilomics and metabolomics.  FOOD RESEARCH INTERNATIONAL,      [PMID:41763756] [10.1016/j.foodres.2026.118371]