3,3'-Ditert-butyl-5,5'-dimethyl[1,1'-biphenyl]-4,4'-diol , CAS No.3432-00-6

CAS: 3432-00-6 Cat. No.: D668192 Peso molecular: 326.5 Número EC: 654-933-9

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3,3'-Ditert-butyl-5,5'-dimethyl[1,1'-biphenyl]-4,4'-diol - CAS No(3432-00-6) by Aladdin Scientific

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Disponible para pedir

Synonyms

NSC135463 | NSC-135463 | 3,3'-ditert-butyl-5,5'-dimethyl[1,1'-biphenyl]-4,4'-diol | NSC60666 | NCIStruc1_001435 | NCIStruc2_001715 | DTXSID30289402 | CCG-37013 | NCGC00014344 | NCI135463 | NSC-60666 | AKOS024332798 | NCGC00014344-02 | NCGC00097453-01 | NC

Storage

Room temperature

Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

NSC135463 | NSC-135463 | 3, 3'-ditert-butyl-5, 5'-dimethyl[1, 1'-biphenyl]-4, 4'-diol | NSC60666 | NCIStruc1_001435 | NCIStruc2_001715 | DTXSID30289402 | CCG-37013 | NCGC00014344 | NCI135463 | NSC-60666 | AKOS024332798 | NCGC00014344-02 | NCGC00097453-01 | NC

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

ALogP	6.9

Nombres e identificadores

Sonrisas canónicas	CC1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C)O)C(C)(C)C
IUPAC Name	2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)-6-methylphenol
InChIKey	UFFRXKCBFTZHIG-UHFFFAOYSA-N
INCHI	1S/C22H30O2/c1-13-9-15(11-17(19(13)23)21(3,4)5)16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3
Isómeros SMILES	CC1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C)O)C(C)(C)C
Peso molecular	326.5
Reaxy-Rn	1999470
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1999470&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Benzene and substituted derivatives
    - Subclass Biphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Biphenols
Intermediate Tree Nodes	Not available
Direct Parent	Biphenols
Alternative Parents	Biphenyls and derivatives Phenylpropanes Ortho cresols Toluenes Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenol - Biphenyl - Phenylpropane - O-cresol - Toluene - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond.
External Descriptors	Not available
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

Estructura 3D

Objetivos asociados (humanos)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

Discover Target: CYP1A2

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

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

Discover Target: CYP2C19

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

A498 (42825 Activities)

Peso molecular	326.500 g/mol
XLogP3	6.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	326.225 Da
Monoisotopic Mass	326.225 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	377.000
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