2,6-Di-tert-butyl-1,4-benzenediol (2,6-DTBHQ) - ≥97% , CAS No.2444-28-2

CAS: 2444-28-2 Cat. No.: B608040 분자식: C₁₄H₂₂O₂ 분자량: 222.32 EC 번호: 219-481-5

GRADE & PURITY ≥97%

Synonyms

2,6-di(t-butyl)hydroquinone | CHEBI:174144 | SY264943 | LE-Mat | 2,6-DI-TERT-BUTYLBENZOHYDROQUINONE | Oprea1_865590 | XA8M8AIM6T | 2,6-Ditert-butyl-1,4-benzenediol # | 3,5-DI-TERT-BUTYL-1,4-HYDROQUINONE | 3,5-Di-tert-butylhydroquinone | p-Xylene, 2-chloro

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

동의어

2,6-di(t-butyl)hydroquinone | CHEBI:174144 | SY264943 | LE-Mat | 2,6-DI-TERT-BUTYLBENZOHYDROQUINONE | Oprea1_865590 | XA8M8AIM6T | 2,6-Ditert-butyl-1,4-benzenediol # | 3,5-DI-TERT-BUTYL-1,4-HYDROQUINONE | 3,5-Di-tert-butylhydroquinone | p-Xylene, 2-chloro

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Desiccated

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• IUPAC Name: 2,6-di-tert-butylbenzene-1,4-diol
• InChIKey: JFGVTUJBHHZRAB-UHFFFAOYSA-N
• INCHI: 1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
• 이성체 SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O
• 분자량: 222.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: 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

관련 대상(비인간)

L1210 (27553 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 95-105℃
• 분자량: 222.320 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.162 Da
• Monoisotopic Mass: 222.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 210.000
• 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