2,4,6-Tri-tert-butyl phenol - ≥99% , CAS No.732-26-3

CAS: 732-26-3 Cat. No.: T108649 Peso molecular: 262.43 Beilstein Registry Number: 1913256 Número EC: 211-989-5 PubChem CID: 12902

GRADE & PURITY ≥99%

Synonyms

Phenol, tris(1,1-dimethylethyl)- | AMY37425 | T0359 | DTXCID401311 | H11784 | 2,4,6-TRIS(1,1-DIMETHYLETHYL)PHENOL [HSDB] | 99J2VIC675 | InChI=1/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H | 2,4,6-Tri-tert-butyl-1-hydroxyben

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Phenol, tris(1, 1-dimethylethyl)- | AMY37425 | T0359 | DTXCID401311 | H11784 | 2, 4, 6-TRIS(1, 1-DIMETHYLETHYL)PHENOL [HSDB] | 99J2VIC675 | InChI=1/C18H30O/c1-16(2, 3)12-10-13(17(4, 5)6)15(19)14(11-12)18(7, 8)9/h10-11, 19H, 1-9H | 2, 4, 6-Tri-tert-butyl-1-hydroxyben

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181753
• Sonrisas canónicas: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
• IUPAC Name: 2,4,6-tritert-butylphenol
• InChIKey: PFEFOYRSMXVNEL-UHFFFAOYSA-N
• INCHI: 1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
• Isómeros SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
• WGK Alemania: 3
• RTECS: SN3570000
• PubChem CID: 12902
• Número ONU: 2811
• Peso molecular: 262.43
• Beilstein: 1913256

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: Phenols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 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 (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture & Light sensitive.
• Punto de inflamación (°F): 266 °F
• Punto de inflamación (°C): 130 °C
• Punto de ebullición (°C): 278°C
• Punto de fusión (°C): 131°C
• Peso molecular: 262.400 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 262.23 Da
• Monoisotopic Mass: 262.23 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 273.000
• 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. Chaoyi Wang, Pan Zou, Ting Zhang, Haipu Li, Zhaoguang Yang.  (2016)  Simultaneous determination of haloanisoles and halophenols in water using in situ acylation combined with solid-phase microextraction with gas chromatography and mass spectrometry.  JOURNAL OF SEPARATION SCIENCE,  40  (2): (514-523).  [PMID:27862946] [10.1002/jssc.201600863]

2. Bin Li, Jianghong Shi, Xueling Xiang, Mengtao Zhang, Hui Ge, Shuhan Sun.  (2024)  Exploring the biosynthetic possibilities of hydroxylated polybrominated diphenyl ethers from bromophenols in Prorocentrum donghaiense: Implications for bioremediation.  CHEMOSPHERE,      [PMID:38878983] [10.1016/j.chemosphere.2024.142611]

3. Wang Yiyu, Su Huijun, Liu Ning, Yang Naiwang, Gao Pingqiang.  (2025)  Distribution of synthetic antioxidants in outdoor and educational indoor dusts and assessment of human exposure.  ENVIRONMENTAL GEOCHEMISTRY AND HEALTH,  47  (5): (1-14).  [PMID:40281297] [10.1007/s10653-025-02496-8]

4. Deming Zhou, Chenji Zhang, Feipeng Yuan, Leyan Li, Lifan Li, Jiapeng Ye, Kun Luan, Zaixing Zhang, Lingxiao Jing, Ruizhi Xue, Tonghua Zhang, Jinggao Wu, Shuangqing Wang.  (2026)  Imparting polyvinyl alcohol enhanced biodegradability, tunable water-solubility, melt processability, and antibacterial activity simultaneously.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2026.111998]