1,3-Cyclohexanedione - 97%, high purity , CAS No.504-02-9

  • ≥97%
Item Number
C106972
Grouped product items
SKUSizeAvailabilityPrice Qty
C106972-25g
25g
In stock
$19.90
C106972-100g
100g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$68.90
C106972-500g
500g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$307.90

Basic Description

Synonyms1,3-Cyclohexanedione | 504-02-9 | CYCLOHEXANE-1,3-DIONE | Dihydroresorcinol | 1,3-Cyclohexandione | Hydroresorcinol | Resorcinol, dihydro- | 1,3 Cyclohexanedione | 1,3-Cyclohexanone | 1,3-Benzenediol, dihydro- | cyclohexane-1,3-quinone | MFCD00001585 | 6UK3D2BXJT | DTXSID1044433 | C
Specifications & Purity≥97%
Storage TempStore at 2-8°C,Argon charged
Shipped InWet ice

Associated Targets(Human)

CES1 Tchem Liver carboxylesterase 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CES2 Tchem Cocaine esterase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BCHE Tclin Cholinesterase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LS180 (140 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

Pubchem Sid488181135
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181135
IUPAC Name cyclohexane-1,3-dione
INCHI InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChi Key HJSLFCCWAKVHIW-UHFFFAOYSA-N
Canonical SMILES C1CC(=O)CC(=O)C1
Isomeric SMILES C1CC(=O)CC(=O)C1
WGK Germany 3
RTECS GV0350000
PubChem CID 10434
Molecular Weight 112.13
Beilstein 385888
Reaxy-Rn 385888

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

To view the certificate results,please click on a Lot number.For Lot numbers from past orders,please use our order status section

7 results found

Lot NumberCertificate TypeDateItem
H2408319Certificate of AnalysisApr 02, 2024 C106972
G2425162Certificate of AnalysisApr 02, 2024 C106972
G2425163Certificate of AnalysisApr 02, 2024 C106972
F2314822Certificate of AnalysisJun 03, 2023 C106972
F2314832Certificate of AnalysisJun 03, 2023 C106972
F2314917Certificate of AnalysisJun 03, 2023 C106972
L2220151Certificate of AnalysisDec 27, 2022 C106972

Chemical and Physical Properties

SolubilitySoluble in water (155 g/L) at 20°C, alcohol, chloroform, acetone, boiling benzene, ether (slightly), carbon disulfide (slightly), and petr ether (slightly).
SensitivityHeat & Air & Light Sensitive
Melt Point(°C)101-105°C

Safety and Hazards(GHS)

Pictogram(s) GHS05,   GHS07
Signal Danger
Hazard Statements

H412:Harmful to aquatic life with long lasting effects

H302:Harmful if swallowed

H318:Causes serious eye damage

Precautionary Statements

P273:Avoid release to the environment.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P270:Do not eat, drink or smoke when using this product.

P330:Rinse mouth.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.

P317:Get emergency medical help.

WGK Germany 3
RTECS GV0350000
Reaxy-Rn 385888
Merck Index 3178

Related Documents

References

1. J K Beckman,S A Morley,H L Greene.  (1991-02-11)  Analysis of aldehydic lipid peroxidation products by TLC/densitometry..  Lipids,  26  ((2)): (155-161).  [PMID:1904971]
2. A E Holley,M K Walker,K H Cheeseman,T F Slater.  (1993-09-01)  Measurement of n-alkanals and hydroxyalkenals in biological samples..  Free radical biology & medicine,  15  ((3)): (281-289).  [PMID:8406128]
3. S Ishimitsu,A Kaihara,K Yoshii,Y Tsumura,Y Nakamura,Y Tonogai.  (2001-08-15)  Determination of clethodim and its oxidation metabolites in crops by liquid chromatography with confirmation by LC/MS..  Journal of AOAC International,  84  ((4)): (1172-1178).  [PMID:11501920]
4. Ralph W Howard,James E Baker.  (2004-06-15)  Stage-specific surface chemicals of Plodia interpunctella: 2-acyl-1,3-cyclohexanediones from larval mandibular glands serve as cuticular lipids..  Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology,  138  ((2)): (193-206).  [PMID:15193275]
5. Tae-Joon Kim,Jin-Seog Kim,Kyoung Sik Hong,In-Taek Hwang,Kyoung Mahn Kim,Hyeong-Rae Kim,Kwang Yun Cho.  (2004-09-24)  EK-2612, a new cyclohexane-1,3-dione possessing selectivity between rice (Oryza sativa) and barnyardgrass (Echinochloa crus-galli)..  Pest management science,  60  ((9)): (909-913).  [PMID:15382506]
6. Randy M Wadkins,Janice L Hyatt,Xin Wei,Kyoung Jin P Yoon,Monika Wierdl,Carol C Edwards,Christopher L Morton,John C Obenauer,Komath Damodaran,Paul Beroza,Mary K Danks,Philip M Potter.  (2005-04-15)  Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases..  Journal of medicinal chemistry,  48  ((8)): (2906-2915).  [PMID:15828829]
7. Michael L Neidig,Andrea Decker,Michael Kavana,Graham R Moran,Edward I Solomon.  (2005-10-04)  Spectroscopic and computational studies of NTBC bound to the non-heme iron enzyme (4-hydroxyphenyl)pyruvate dioxygenase: active site contributions to drug inhibition..  Biochemical and biophysical research communications,  338  ((1)): (206-214).  [PMID:16197918]
8. Reiko Fujita,Masato Hoshino,Yusuke Tojyo,Atsushi Kimura,Hiroshi Hongo.  (2006-02-08)  [Reaction of pyridinium and quinolinium salts having the leaving group at the 2- or 4-position with active methylene compounds]..  Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan,  126  ((2)): (99-108).  [PMID:16462099]
9. Guan-Wu Wang,Ya-Wei Dong,Ping Wu,Ting-Ting Yuan,Ye-Bing Shen.  (2008-08-20)  Unexpected solvent-free cycloadditions of 1,3-cyclohexanediones to 1-(pyridin-2-yl)-enones mediated by manganese(III) acetate in a ball mill..  The Journal of organic chemistry,  73  ((18)): (7088-7095).  [PMID:18710288]
10. Anthony Adeuya,Neil P J Price.  (2009-03-18)  Electron impact ion fragmentation pathways of peracetylated C-glycoside ketones derived from cyclic 1,3-diketones..  Rapid communications in mass spectrometry : RCM,  23  ((8)): (1173-1182).  [PMID:19291692]
11. Kerstin Rohr,Rainer Mahrwald.  (2009-03-31)  Catalyst-free tandem aldol condensation/Michael addition of 1,3-cyclohexanediones with enolizable aldehydes..  Bioorganic & medicinal chemistry letters,  19  ((14)): (3949-3951).  [PMID:19328691]
12. Xiao-Qing Zhao,Zhi-Qi Zhang.  (2009-09-29)  Microwave-assisted on-line derivatization for sensitive flow injection fluorometric determination of formaldehyde in some foods..  Talanta,  80  ((1)): (242-245).  [PMID:19782221]
13. Ramin Ghahremanzadeh,Fatemeh Fereshtehnejad,Ayoob Bazgir.  (2010-04-23)  Chromeno[2,3-d]pyrimidine-triones synthesis by a three-component coupling reaction..  Chemical & pharmaceutical bulletin,  58  ((4)): (516-520).  [PMID:20410635]
14. Kou Hiroya,Yoshihiro Suwa,Yusuke Ichihashi,Kiyofumi Inamoto,Takayuki Doi.  (2011-05-06)  Total synthesis of optically active lycopladine A by utilizing diastereoselective protection of carbonyl group in a 1,3-cyclohexanedione derivative..  The Journal of organic chemistry,  76  ((11)): (4522-4532).  [PMID:21542635]
15. Rema B Devi,Matthias Henrot,Michaël De Paolis,Jacques Maddaluno.  (2011-08-10)  Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones..  Organic & biomolecular chemistry,  ((19)): (6509-6512).  [PMID:21826296]
16. K P Braun,R B Cody,D R Jones,C M Peterson.  (1995-05-12)  A structural assignment for a stable acetaldehyde-lysine adduct..  The Journal of biological chemistry,  270  ((19)): (11263-11266).  [PMID:7744761]
17. S R Webb,J C Hall.  (2001-03-10)  Polyclonal-based ELISA for the identification of cyclohexanedione analogs that inhibit maize acetyl coenzyme-A carboxylase..  Journal of AOAC International,  84  ((1)): (143-149).  [PMID:11234801]
18. M T Zanni,N H Ge,Y S Kim,R M Hochstrasser.  (2001-09-20)  Two-dimensional IR spectroscopy can be designed to eliminate the diagonal peaks and expose only the crosspeaks needed for structure determination..  Proceedings of the National Academy of Sciences of the United States of America,  98  ((20)): (11265-11270).  [PMID:11562493]
19. Sergey A Yermolayev,Nikolay Yu Gorobets,Sergey M Desenko.  (2008-12-09)  Rapid three-step one-pot microwave-assisted synthesis of 2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile library..  Journal of combinatorial chemistry,  11  ((1)): (44-46).  [PMID:19061393]
20. Sergey Molchanov,Adam Gryff-Keller.  (2009-07-22)  Inhibition of 4-hydroxyphenylpyruvate dioxygenase by 2-[2-nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione..  Acta biochimica Polonica,  56  ((3)): (447-454).  [PMID:19621095]
21. Theola Louie,C Dean Goodman,Georgina A Holloway,Geoffrey I McFadden,Vanessa Mollard,Keith G Watson.  (2010-06-29)  Dimeric cyclohexane-1,3-dione oximes inhibit wheat acetyl-CoA carboxylase and show anti-malarial activity..  Bioorganic & medicinal chemistry letters,  20  ((15)): (4611-4613).  [PMID:20580556]
22. Chimène Asta,Dietmar Schmidt,Jürgen Conrad,Wolfgang Frey,Uwe Beifuss.  (2013-07-26)  Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones..  Organic & biomolecular chemistry,  11  ((34)): (5692-5701).  [PMID:23884357]

Solution Calculators