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1,3-Cyclohexanedione

1,3-Cyclohexanedione Structure
1,3-Cyclohexanedione structure
CAS No.
504-02-9
Chemical Name:
1,3-Cyclohexanedione
Synonyms
CYCLOHEXANE-1,3-DIONE;CHD;DIHYDRORESORCINOL;1,3-Cyclohexandione;TECO-013;NSC 57477;ohexanedione;Dihydroresorcin;Hydroresorcinol;1,3-CYCLOHEXANONE
CBNumber:
CB8319650
Molecular Formula:
C6H8O2
Molecular Weight:
112.13
MDL Number:
MFCD00001585
MOL File:
504-02-9.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-09-04 08:02:39
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1,3-Cyclohexanedione Properties

Melting point 101-105 °C (lit.)
Boiling point 170.05°C (rough estimate)
Density 1,1 g/cm3
vapor pressure 0.018Pa at 25℃
refractive index 1.4576 (estimate)
storage temp. Store at +2°C to +8°C.
solubility Chloroform (Slightly), Methanol (Slightly)
form Powder
pka 5.26(at 25℃)
color Pale yellow to beige
Water Solubility soluble
Merck 14,3178
BRN 385888
InChI 1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChIKey HJSLFCCWAKVHIW-UHFFFAOYSA-N
SMILES O=C1CCCC(=O)C1
LogP 0.461 at 21.4℃ and pH3.2
Surface tension 69.9mN/m at 1.01g/L and 22℃
CAS DataBase Reference 504-02-9(CAS DataBase Reference)
FDA UNII 6UK3D2BXJT
NIST Chemistry Reference 1,3-Cyclohexanedione(504-02-9)
EPA Substance Registry System 1,3-Cyclohexanedione (504-02-9)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H318-H412
Precautionary statements  P273-P280-P301+P312+P330-P305+P351+P338+P310
PPE Eyeshields, Gloves, type N95 (US)
Safety Statements  24/25
WGK Germany  3
RTECS  GV0350000
F  8-21
TSCA  TSCA listed
HS Code  29142900
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
REACH Registrations Active
NFPA 704
1
2 0

1,3-Cyclohexanedione price More Price(85)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich C101605 1,3-Cyclohexanedione 97% 504-02-9 5g $66.8 2026-04-30 Buy
Sigma-Aldrich C101605 1,3-Cyclohexanedione 97% 504-02-9 100g $104 2026-04-30 Buy
TCI Chemical A5581 1,3-Cyclohexanedione [for HPLC Labeling] >98.0%(GC)(T) 504-02-9 5g $50 2026-04-30 Buy
TCI Chemical C0682 1,3-Cyclohexanedione >98.0%(GC)(T) 504-02-9 25g $27 2026-04-30 Buy
ChemScene CS-W007466 Cyclohexane-1,3-dione ≥97% 504-02-9 10g $5 2026-06-04 Buy
Product number Packaging Price Buy
C101605 5g $66.8 Buy
C101605 100g $104 Buy
A5581 5g $50 Buy
C0682 25g $27 Buy
CS-W007466 10g $5 Buy

1,3-Cyclohexanedione Chemical Properties,Uses,Production

Chemical Properties

pale yellow to beige powder

Uses

1,3-Cyclohexanedione is used in organic synthesis and pharmaceutical intermediates. It is the intermediate of herbicides sulcotrione and nitrosulfonone. It is also nitisinone intermediate.

Uses

1,3-Cyclohexanedione can be used as a building block in the synthesis of:

  • 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
  • [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.
It can be also used to prepare 2-substituted adducts, which are important intermediates for the synthesis of -enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

Definition

ChEBI: 1,3-Cyclohexanedione is a cyclohexanedione carrying oxo substituents at positions 1 and 3. It is a beta-diketone and a cyclohexanedione.

Synthesis Reference(s)

The Journal of Organic Chemistry, 30, p. 3206, 1965 DOI: 10.1021/jo01020a506

Synthesis

1,3-cyclohexanedione is made by combining resorcinol with sodium formate in water using 5% palladium on carbon in water at a pH of 5-11. After the completion of the reaction, the catalyst is separated by filtration. Next, a sufficient amount of concentrated HCl is added to lower the pH of the mixture to about 3, and the reaction is cooled and stirred for an additional 0.5-4.0 hours. Optionally, sodium chloride may be added to facilitate recovery of 1,3-cyclohexanedione.
1,3-Cyclohexanedione synthesis

Purification Methods

Crystallise the dione from *benzene. Dissolve ~50g of the diol in 140mL of *C6H6 under N2, cool, collect the solid and dry it in a vacuum desiccator overnight. It is unstable and should be stored under N2 or Ar at ~0o. [Thompson Org Synth Coll Vol III 278 1955, Beilstein 7 IV 1985.]

1,3-Cyclohexanedione synthesis

57910-97-1
504-02-9
Synthesis of 1,3-Cyclohexanedione from 2-Cyclohexen-1-one, 3-hydroxy-, sodium salt (1:1)

1,3-Cyclohexanedione Preparation Products And Raw materials

Raw materials

Resorcinol

Preparation Products

3-Methoxy-2-cyclohexen-1-one 5-(2-ETHYLTHIO PROPYL)-1,3-CYCLOHEXANEDIONE Ondansetron Sethoxydim 4-acetylbutyric acid
2-Oxo-(2H)-furo(2,3-h)-1-benzopyran 1,2,3,9-Tetrahydro-4(H)-carbazol-4-one 3-ETHOXY-2-CYCLOHEXEN-1-ONE 3-AMINO-2-CYCLOHEXEN-1-ONE 4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid
6,7-Dihydro-4(5H)-benzofuranone 2-(2-OXO-2-PHENYL-ETHYL)-CYCLOHEXANE-1,3-DIONE 2-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE 2H-3,7a-Methanobenzofuran-4(5H)-one, tetrahydro-

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1,3-Cyclohexanedione Suppliers

Global( 699)Suppliers
Supplier Tel Email Country ProdList Advantage
ZOUPING MINGYUAN IMP.&EXP. TRADE CO.,LTD. 18364991597 fox793@163.com China 21 58
Wuhan Hongde Yuexin Pharmaceutical Technology Co., Lt 027-83855392 15827396479 wuhanfudechem03@sina.com China 1000 58
Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd. 13396369453 18678026865 sdfantai@163.com China 904 58
Shanghai Taijilin Industrial Co., Ltd. 02150630626 17717886015 kate@tajilin.com China 1340 58
Anhui Dali Biotechnology Co. , Ltd. 15705632007 3383822427@qq.com China 392 58
shandongbaqianhehuagong 15865655795 263501023@qq.com China 57 58
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
INTATRADE GmbH +49 3493/605464 sales@intatrade.de Germany 3563 66
future industrial shanghai co., ltd 400-0066400 13621662912 sales@jonln.com China 1989 65
Supplier Advantage
ZOUPING MINGYUAN IMP.&EXP. TRADE CO.,LTD. 58
Wuhan Hongde Yuexin Pharmaceutical Technology Co., Lt 58
Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd. 58
Shanghai Taijilin Industrial Co., Ltd. 58
Anhui Dali Biotechnology Co. , Ltd. 58
shandongbaqianhehuagong 58
J & K SCIENTIFIC LTD. 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 62
INTATRADE GmbH 66
future industrial shanghai co., ltd 65

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View Lastest Price from 1,3-Cyclohexanedione manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1,3-Cyclohexanedione pictures 2026-09-12 1,3-Cyclohexanedione
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 0.99 RongNa Biotechnology Co.,Ltd
1,3-Cyclohexanedione pictures 2026-09-08 1,3-Cyclohexanedione
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 1KG 97% 1000 KG Henan Alfa Chemical Co., Ltd
1,3-Cyclohexanedione pictures 2026-09-02 1,3-Cyclohexanedione
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 $5.00 1KG 99% Henan Fengda Chemical Co., Ltd

1,3-Cyclohexanedione Spectrum

1,3-Cyclohexanedione(504-02-9)MS1,3-Cyclohexanedione(504-02-9)1HNMR1,3-Cyclohexanedione(504-02-9)13CNMR1,3-Cyclohexanedione(504-02-9)IR11,3-Cyclohexanedione(504-02-9)IR21,3-Cyclohexanedione(504-02-9)IR31,3-Cyclohexanedione(504-02-9)IR1,3-Cyclohexanedione(504-02-9)Raman

504-02-9(1,3-Cyclohexanedione)Related Search:

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Dihydro-1,3-benzenediol NSC 57477 1,3-Cyclohexanedione, 97% 500GR 1,3-Cyclohexanedione 97% 1,3-Cyclohexanedione SynonyMs Cyclohexane-1,3-dione 1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl 1,3-Cyclohexanedione [for HPLC Labeling] 1,3-Diketocyclohexane Dihydroresorcin 1,3-Cyclohexanedione, May Cont. up to 1% Nacl Dihydroresorcinol, 1,3-Dioxocyclohexane 1,3-Cyclohexanedione, 97% 100GR Cyclohexan-1,3-dion ohexanedione Molindone Impurity B Nitisinone Impurity 1（1,3-Cyclohexanedione） 1,3-Benzenediol, dihydro- Hydroresorcinol Resorcinol, dihydro- DIHYDRORESORCINOL 1,3-CYCHEXANEDIONE 1,3-cycloadipic ketone 1,3-CYCLOHEXANEDIONE, FOR FLUORESCENCE 1,3-Cyclohexanedione, 97+% 1,3-Cyclohexanedione,98% 1,3-CYCLOHEXANONE 1,3-Dioxocyclohexane 1,3-CYCLOHEXANEDIONE 1,3-Cyclohexanedione > [2-14C] cyclohexane-1,3-dione 1,3-Cyclohexanedione, 97%, for synthesis 1,3-Cyclohexanedione [for HPLC Labeling]> 1,3-CYCLOHEXANEDIONE FOR SYNTHESIS 1,3-CYCLOHEXANEDIONE CHD Dimethyl octadecanoate TECO-013 1,3-Cyclohexanedione (7CI, 8CI, 9CI, ACI) Cyclohexan-1,3-dione (2R,3R,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(hexadecyloxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite 1,3-cyclohexanedione, 99%min 1,3-Cyclohexandione CHD CYCLOHEXANE-1,3-DIONE 504-02-9 765-87-8 C6H6OH2 Building Blocks Biochemicals and Reagents BioChemical HPLC Labeling Reagents Fluorescence Detection (HPLC Labeling Reagents) Carbonyl Group Labeling Reagents for Fluorescence HPLC Fluorescent Probes, Labels, Particles and Stains Detection Organic Building Blocks Ketones C3 to C6 Carbonyl Compounds