4-tert-Butylstyrene (stabilized with TBC) - ≥90%(GC) , CAS No.1746-23-2

CAS: 1746-23-2 Cat. No.: T161986 Molecular Weight: 160.26 Beilstein Registry Number: 5(3)1254 EC Number: 217-126-9 PubChem CID: 15627

GRADE & PURITY ≥90%(GC)

Synonyms

1-tert-butyl-4-ethenylbenzene | BS-48273 | 4-(2-methyl-2-propyl) styrene | 4-TERT-BUTYLSTYLENE | 4-T-BUTYL STYRENE [INCI] | DTXSID0022305 | p -tert -Butylstyrene | InChI=1/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H | 4-tert-Butylstyrene, 95% | A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-tert-butyl-4-ethenylbenzene | BS-48273 | 4-(2-methyl-2-propyl) styrene | 4-TERT-BUTYLSTYLENE | 4-T-BUTYL STYRENE [INCI] | DTXSID0022305 | p -tert -Butylstyrene | InChI=1/C12H16/c1-5-10-6-8-11(9-7-10)12(2, 3)4/h5-9H, 1H2, 2-4H | 4-tert-Butylstyrene, 95% | A

Specifications & Purity

≥90%(GC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 504752688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752688
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)C=C
• IUPAC Name: 1-tert-butyl-4-ethenylbenzene
• InChIKey: QEDJMOONZLUIMC-UHFFFAOYSA-N
• INCHI: 1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)C=C
• PubChem CID: 15627
• Molecular Weight: 160.26
• Beilstein: 5(3)1254
• Reaxy-Rn: 1903714

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Styrenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Not miscible in water.
• Sensitivity: heat sensitive;Light sensitive
• Refractive Index: 1.5250 to 1.5280
• Flash Point(°F): 177.8 ℉
• Flash Point(°C): 81°C
• Boil Point(°C): 91-92 °C/9 mmHg
• Molecular Weight: 160.250 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 160.125 Da
• Monoisotopic Mass: 160.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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

References

1. Jianbo Tan, Xin Rao, Dan Jiang, Jianwen Yang, Zhaohua Zeng.  (2014)  One-stage photoinitiated RAFT dispersion polymerization – Reaction parameters for achieving high particle size uniformity.  POLYMER,  55  (10): (2380-2388).  [PMID:] [10.1016/j.polymer.2014.04.006]

2. Yulai Zhao, Lianzhi Shen, Yu Yuan, Longqiang Xiao, Jingyu Cai, Zhen Lu, Linxi Hou.  (2023)  Preparation of porous poly(4-tert-butylstyrene) based monoliths with high efficiency for oil-water separation via high internal phase emulsion template.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (18): (e53801).  [PMID:] [10.1002/app.53801]

3. Hong Zonghao, Wu Shilong, Chen Quan.  (2024)  Flow-induced demixing of polyisoprene/poly(4-tert butyl styrene) with high dynamic contrast.  KOREA-AUSTRALIA RHEOLOGY JOURNAL,      [PMID:] [10.1007/s13367-024-00114-0]

4. Yi Yu, Meng Wang, Ying Wu, Hongxia Xi.  (2024)  In situ metallization of 2D COFs with acid/base site synergistic effects for boosting one-pot CO2 conversion.  Journal of Materials Chemistry A,  12  (32): (21398-21405).  [PMID:] [10.1039/D4TA03530E]

5. Xindong Zhao, Jiaqi Wang, Xu Yang, Kai Wang, Ling Weng, Jiaming Yang, Hong Zhao, Yunpeng Zhan, Shuai Hou, Mingli Fu.  (2026)  Improved DC Properties of Polypropylene HVDC Cable Insulation by Grafting and Blending Combined Modification.  High Voltage,      [PMID:] [10.1049/hve2.70129]