1,3-Dibenzylidene-2-cyclohexanone - ≥98% , CAS No.897-78-9

Name: 1,3-Dibenzylidene-2-cyclohexanone - ≥98% , CAS No.897-78-9
SKU: D154417
Availability: InStock

CAS: 897-78-9 Cat. No.: D154417 Formula: C₂₀H₁₈O Peso molecolare: 274.36 Numero EC: 212-981-4

COA

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1,3-Dibenzylidene-2-cyclohexanone - ≥98% CAS No(897-78-9) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY ≥98%

Synonyms

2,6-Dibenzylidenecyclohexan-1-one | Cyclohexanone, 2,6-bis(phenylmethylene)- | 1,3-Dibenzylidene-2-cyclohexanone | 1,3-Dibenzal-2-cyclohexanone | CCG-52176 | MFCD00019516 | NSC40618 | NSC-40618 | MLS002701880 | 1R-0613 | 2,6-Dibenzylidenecyclohexanone | 2

Storage

Room temperature

Shipped In

Normal

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni Domande frequenti

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinonimi

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid	504760597
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760597
Sorrisi canonici	C1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1
IUPAC Name	(2E,6E)-2,6-dibenzylidenecyclohexan-1-one
InChIKey	CTKKGXDAWIAYSA-JSAVKQRWSA-N
INCHI	1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+
Isomeri SMILES	C1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1
Peso molecolare	274.36
Reaxy-Rn	656613
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=656613&ln=

Documentazione

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 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 Phenylpropanoids and polyketides
  - Classe Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	Benzene and substituted derivatives Cyclic ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
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

Struttura 3D

Obiettivi associati (umani)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

Discover Target: CYP1A2

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

F3 Tclin Tissue factor (1 Activities)

Discover Target: F3

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

GSR Tclin Glutathione reductase (335 Activities)

Discover Target: GSR

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

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

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

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

A498 (42825 Activities)

Lot Number	Certificate Type	Data	Oggetto
K2222445	Certificate of Analysis	Sep 03, 2026	D154417
K2224078	Certificate of Analysis	Sep 03, 2026	D154417
L2206127	Certificate of Analysis	Sep 01, 2026	D154417
B2603113	Certificate of Analysis	Feb 25, 2026	D154417
D1916056	Certificate of Analysis	Feb 07, 2023	D154417
F2327362	Certificate of Analysis	Feb 07, 2023	D154417
A2305108	Certificate of Analysis	Jan 09, 2023	D154417

Punto di fusione (°C)	117 °C
Peso molecolare	274.400 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	274.136 Da
Monoisotopic Mass	274.136 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

1,3-Dibenzylidene-2-cyclohexanone - ≥98% , CAS No.897-78-9

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentazione

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

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