1,2-Cyclohexanedione - ≥98% , CAS No.765-87-7

CAS: 765-87-7 Cat. No.: C123365 Formula: C6H8O2 Molecular Weight: 112.13 Beilstein Registry Number: 507419 EC Number: 212-155-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Cyclohexane-1,2-dione | Cyclohexanedione
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
Germany (EU)
USA*
Price
Qty
1g
C123365-1g
Made to order · 8–12 wks

€8.59

€12.93
Save €4.34 (33.56%)
5g
C123365-5g
Made to order · 8–12 wks

€13.80

€20.74
Save €6.94 (33.47%)
25g
C123365-25g
—
1 In stock

€54.58

€82.35
Save €27.77 (33.72%)
100g
C123365-100g
—
2 In stock

€215.11

€322.71
Save €107.60 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Specific reagent for arginine residues.

Specifications

Synonyms
Cyclohexane-1,2-dione | Cyclohexanedione
Specifications & Purity
≥98%
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid528753676
Canonical SmilesC1CCC(=O)C(=O)C1
IUPAC Namecyclohexane-1,2-dione
InChIKeyOILAIQUEIWYQPH-UHFFFAOYSA-N
INCHI1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
Isomeric SMILES C1CCC(=O)C(=O)C1
WGK Germany 3
RTECS GV0340000
Molecular Weight 112.13
Beilstein 507419
Reaxy-Rn 507419
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507419&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 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
Direct ParentCyclic ketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors a ketone
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

18 results found

Lot NumberCertificate TypeDateItem
I2107345Certificate of AnalysisJun 11, 2025 C123365
F2625045Certificate of AnalysisMar 12, 2025 C123365
C2521806Certificate of AnalysisMar 12, 2025 C123365
C2521820Certificate of AnalysisMar 12, 2025 C123365
C2521824Certificate of AnalysisMar 12, 2025 C123365
C2521826Certificate of AnalysisMar 12, 2025 C123365
B2520565Certificate of AnalysisMar 28, 2024 C123365
E2414221Certificate of AnalysisMar 28, 2024 C123365
E2414222Certificate of AnalysisMar 28, 2024 C123365
E2414223Certificate of AnalysisMar 28, 2024 C123365
D2407050Certificate of AnalysisNov 23, 2022 C123365
I2412079Certificate of AnalysisNov 23, 2022 C123365
F2314500Certificate of AnalysisNov 23, 2022 C123365
B2317468Certificate of AnalysisNov 23, 2022 C123365
B2317673Certificate of AnalysisNov 23, 2022 C123365
B2317598Certificate of AnalysisNov 23, 2022 C123365
B2317512Certificate of AnalysisNov 23, 2022 C123365
H1810137Certificate of AnalysisJun 16, 2022 C123365

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Chemical and Physical Properties
SolubilitySoluble in water and alcohol.
SensitivityAir sensitive
Refractive Index1.519
Flash Point(°F)183.2 °F
Flash Point(°C)84°C(183°F)
Boil Point(°C)194°C
Melt Point(°C)34-38°C
Molecular Weight112.130 g/mol
XLogP3-0.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass112.052 Da
Monoisotopic Mass112.052 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity110.000
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
Documents & Articles
Citations of This Product
References
1. Jin Yuan, Zhiwei He, Hongbo Zhang.  (2023)  Evidence of C–H bond activation dominating in both C6H12 oxidation and consequential C–C bond rupture.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2023.04.009]
2. Hao Zhang, Hongjie Zhu, Haitao Zhao, Mingyu Dou, Xingliang Yin, Hua Yang, Dacheng Li, Jianmin Dou.  (2022)  A novel dinuclear cobalt-bis(thiosemicarbazone) complex as a cocatalyst to enhance visible-light-driven H2 evolution on CdS nanorods and a mechanism discussion.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2022.113771]
3. Gaowei Li, Shichao Jiang, Zongliang Zhang, Xiaoyin Liu, Kai Wu, Peng Liu, Mei Yang, Ting Zhou, Jiamei Xiao, Nini Xin, Xiaoyang Wu, Zhihong Chen, Jie Ding, Chengheng Wu, Dan Wei, Jing Sun, Aiping Tong, Hongsong Fan, Liangxue Zhou.  (2024)  Donor Substitution Engineering of Hemicyanine Nanoparticles to Reprogram the Tumor Microenvironment and Enhance Fn14-Targeted BiTE for Glioblastoma Photoimmunotherapy.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202413847]
Solution Calculators
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