4-tert-Butoxystyrene (stabilized with TBC) - ≥98%(GC) , CAS No.95418-58-9

CAS: 95418-58-9 Cat. No.: T405560 Molecular Weight: 176.26 EC Number: 619-127-3 PubChem CID: 577531

GRADE & PURITY ≥98%(GC)

Synonyms

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene | 4-t-Butoxystyrene | DTXSID30341978 | 4-tert-Butoxystyrene, 99%, contains 200 ppm 4-tert-butylcatechol as inhibitor | MFCD00145183 | p-t-butoxystyrene | 1-tert-Butoxy-4-vinylbenzene | SCHEMBL131860 | 4-tert-B

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene | 4-t-Butoxystyrene | DTXSID30341978 | 4-tert-Butoxystyrene, 99%, contains 200 ppm 4-tert-butylcatechol as inhibitor | MFCD00145183 | p-t-butoxystyrene | 1-tert-Butoxy-4-vinylbenzene | SCHEMBL131860 | 4-tert-B

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504759333
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759333
• Canonical Smiles: CC(C)(C)OC1=CC=C(C=C1)C=C
• IUPAC Name: 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
• InChIKey: GRFNSWBVXHLTCI-UHFFFAOYSA-N
• INCHI: 1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
• Isomeric SMILES: CC(C)(C)OC1=CC=C(C=C1)C=C
• PubChem CID: 577531
• Molecular Weight: 176.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Styrenes Phenoxy compounds Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.52
• Flash Point(°C): 97 °C
• Boil Point(°C): 73 °C/0.075 mmHg
• Melt Point(°C): -38 °C
• Molecular Weight: 176.250 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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. Xiaoqin Cheng, Qiang Wen, Yunna Li, Shanshan Wang, Gang Fan, Zhaocheng Ma, Yuancheng Guo, Xiaoxue Li, Hongyu Zhang.  (2023)  Exploration of D-limonene as a sex pheromone for males of Bactrocera minax (Diptera: Tephritidae).  PEST MANAGEMENT SCIENCE,  80  (4): (1868-1876).  [PMID:38041609] [10.1002/ps.7914]

2. Jiani Peng, Yong Gao.  (2025)  Diblock Copolymer Nanoparticles Bearing Phenols: Potential Stimuli-Responsive Pickering Emulsifiers with Antioxidant and Antibacterial Activities.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c00571]