The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2-tert-Butyl-4-methylphenol - 97%, high purity , CAS No.2409-55-4
Basic Description
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 |
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-tert-butyl-4-methylphenol
INCHI
InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
InChIKey
IKEHOXWJQXIQAG-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1)O)C(C)(C)C
Isomeric SMILES
CC1=CC(=C(C=C1)O)C(C)(C)C
WGK Germany
2
RTECS
GO7000000
UN Number
2811
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light sensitive; air sensitive;Moisture sensitive
Refractive Index
1.4963
Flash Point(°F)
212 °F
Flash Point(°C)
100 °C
Boil Point(°C)
232.7°C
Melt Point(°C)
52°C
Molecular Weight
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
Citations of This Product
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,
191
(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,
182
(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).
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
3 Citations
J2308085