2,6-Di-tert-butyl-4-methoxyphenol [Oxidation inhibitor] - ≥98% , CAS No.489-01-0

CAS: 489-01-0 Cat. No.: D155526 Molecular Weight: 236.36 EC Number: 207-693-0

GRADE & PURITY ≥98%

Synonyms

EINECS 207-693-0 | EN300-180510 | FT-0614731 | AKOS005259610 | Tox21_301055 | Z1860333896 | BP-31248 | 616072TMXY | BDBM50240689 | STL483053 | MFCD00008824 | 2,6-Di-(tert-butyl)-4-methoxyphenol | 4-methoxy-2-6-di-tert-butylphenol | J-660048 | InChI=1/C15H

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

2,6-Di-tert-butyl-4-methoxyphenol is a phenolic antioxidant. It participates in In(trifluoromethanesulfonate)3-catalyzed tandem reaction of ortho-alkynylarylimine with various nucleophiles.

Product Application：

2,6-Di-tert-butyl-4-methoxyphenol has been used to protect cosmetics, drugs and foods from oxidative degradation.

Specifications

Synonyms

EINECS 207-693-0 | EN300-180510 | FT-0614731 | AKOS005259610 | Tox21_301055 | Z1860333896 | BP-31248 | 616072TMXY | BDBM50240689 | STL483053 | MFCD00008824 | 2, 6-Di-(tert-butyl)-4-methoxyphenol | 4-methoxy-2-6-di-tert-butylphenol | J-660048 | InChI=1/C15H

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181100
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181100
• Canonical Smiles: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC
• IUPAC Name: 2,6-ditert-butyl-4-methoxyphenol
• InChIKey: SLUKQUGVTITNSY-UHFFFAOYSA-N
• INCHI: 1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
• Isomeric SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC
• WGK Germany: 3
• RTECS: SJ7785668
• Molecular Weight: 236.36
• Reaxy-Rn: 2052290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenylpropanes 4-alkoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - 4-alkoxyphenol - Phenylpropane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 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 methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol 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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

L1210 (27553 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: souble in Methanol
• Boil Point(°C): 140 °C/10 mmHg
• Melt Point(°C): 101-108℃
• Molecular Weight: 236.350 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.178 Da
• Monoisotopic Mass: 236.178 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 223.000
• 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