1,4-Diacetylbenzene - ≥98% , CAS No.1009-61-6

CAS: 1009-61-6 Cat. No.: D154226 Molecular Weight: 162.19 EC Number: 213-769-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EINECS 213-769-4 | 1,1'-(1,4-phenylene)diethanone | SCHEMBL50646 | NSC295548 | NSC-295548 | NCGC00248961-01 | 1-(4-ethanoylphenyl)ethanone | NCGC00258771-01 | 4'-Acetylacetophenone | InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H | 1-(4-acetylp
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
D154226-1g
4
$14.90
5g
D154226-5g
1
$58.90
25g
D154226-25g
1
$159.90
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Why this grade

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

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Storage & shipping

Room temperature Ships Normal 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

1,1'-(1,4-phenylene)bis-Ethanone can undergo oxidative C-C Bond Cleavage to synthesize an aryl carboxylic acid with an iodine catalyst . 1,1'-(1,4-phenylene)bis-Ethanone is also capable of Suzuki-Miyaura coupling.

Specifications

Synonyms
EINECS 213-769-4 | 1, 1'-(1, 4-phenylene)diethanone | SCHEMBL50646 | NSC295548 | NSC-295548 | NCGC00248961-01 | 1-(4-ethanoylphenyl)ethanone | NCGC00258771-01 | 4'-Acetylacetophenone | InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H, 1-2H | 1-(4-acetylp
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504752504
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752504
Canonical SmilesCC(=O)C1=CC=C(C=C1)C(=O)C
IUPAC Name1-(4-acetylphenyl)ethanone
InChIKeySKBBQSLSGRSQAJ-UHFFFAOYSA-N
INCHI1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
Isomeric SMILES CC(=O)C1=CC=C(C=C1)C(=O)C
WGK Germany 3
Molecular Weight 162.19
Reaxy-Rn 1907515
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907515&ln=

Documentation

📋 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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Acetophenones  Benzoyl derivatives  Aryl alkyl ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDateItem
C2212439Certificate of AnalysisDec 10, 2025 D154226
C2212461Certificate of AnalysisDec 10, 2025 D154226
I2016331Certificate of AnalysisJul 15, 2024 D154226
C2407163Certificate of AnalysisFeb 23, 2024 D154226
C2407284Certificate of AnalysisFeb 23, 2024 D154226
C2407289Certificate of AnalysisFeb 23, 2024 D154226
C2407290Certificate of AnalysisFeb 23, 2024 D154226
F2623077Certificate of AnalysisFeb 23, 2024 D154226
C2214410Certificate of AnalysisFeb 12, 2022 D154226
F2326110Certificate of AnalysisFeb 12, 2022 D154226
Chemical and Physical Properties
SolubilitySolubility in hot Methanol almost transparency
Boil Point(°C)120°C/1mmHg
Melt Point(°C)111-115°C
Molecular Weight162.180 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass162.068 Da
Monoisotopic Mass162.068 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity166.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Qianwen Su, Yinying Wang, Jinghao Chen, Daohui Zhao, Huali Long, Ming Li.  (2022)  Ultrafast organic solvent nanofiltration in CC bonded conjugated microporous membrane-based nanochannels by space-confined polymerization.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.141130]
2. Ren Jing, Tang Jing, Zhao Mei, Chen Zilin, Wang Fang.  (2024)  Enhanced electrochemical sensing of uracil via a glassy carbon electrode modified with a COF-V-AuNP composite.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,      [PMID:] [10.1007/s10008-024-05942-2]
3. Qi Zhou, Lijiang Guan, Mohamed E. El-Khouly, Shangbin Jin.  (2025)  Synthesis of Pyrrole-based Porous Organic Polymers for High Temperature Proton Conduction.  ACS Omega,      [PMID:40821569] [10.1021/acsomega.5c00303]
4. Yu Shi-Han, Wang Lu, Zhang Meng-Chao, Li Hong-Kun.  (2025)  Multicomponent Polymerization of Diacetylarenes, Dialkynones, and NH4OAc for In situ Construction of Functional Conjugated Poly(triarylpyridine)s.  CHINESE JOURNAL OF POLYMER SCIENCE,      [PMID:] [10.1007/s10118-025-3362-2]
5. Min Sun, Jiaqing Feng, Yang Feng, Xubo Xin, Yali Ding, Juanjuan Feng.  (2024)  Core-shell silica@pyridyl conjugated microporous polymer as a stationary phase for high performance liquid chromatography.  ANALYTICA CHIMICA ACTA,      [PMID:38309855] [10.1016/j.aca.2024.342258]
Solution Calculators
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