ChemicalBook > CAS DataBase List > 1,3-Cyclohexanedione

1,3-Cyclohexanedione

Product Name
1,3-Cyclohexanedione
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
Formula Weight
112.13
MOL File
504-02-9.mol
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1,3-Cyclohexanedione Property

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
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)
NIST Chemistry Reference
1,3-Cyclohexanedione(504-02-9)
EPA Substance Registry System
1,3-Cyclohexanedione (504-02-9)
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Safety

Safety Statements 
24/25
WGK Germany 
3
RTECS 
GV0350000
F 
8-21
TSCA 
Yes
HS Code 
29142900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H318Causes serious eye damage

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
C101605
Product name
1,3-Cyclohexanedione
Purity
97%
Packaging
5g
Price
$60.9
Updated
2024/03/01
Sigma-Aldrich
Product number
C101605
Product name
1,3-Cyclohexanedione
Purity
97%
Packaging
100g
Price
$95.5
Updated
2024/03/01
TCI Chemical
Product number
A5581
Product name
1,3-Cyclohexanedione [for HPLC Labeling]
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$69
Updated
2024/03/01
TCI Chemical
Product number
C0682
Product name
1,3-Cyclohexanedione
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$22
Updated
2024/03/01
Alfa Aesar
Product number
A11109
Product name
1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl
Packaging
50g
Price
$26.65
Updated
2024/03/01
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1,3-Cyclohexanedione Chemical Properties,Usage,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

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 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
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1,3-Cyclohexanedione Suppliers

Americas 1 Austria 1 Belgium 5 Canada 5 China 485 Czech 1 Europe 3 France 5 Germany 9 India 58 Italy 1 Japan 7 Singapore 1 Slovakia 1 South Korea 2 Switzerland 3 Ukraine 1 United Kingdom 15 United States 51 Global 655
Xuzhou datang chemical co. LTD
Tel
0516-88955777 15952285777
Fax
0516-8895596
Email
120958853@qq.com
Country
China
ProdList
2
Advantage
58
Wuhan Hongde Yuexin Pharmaceutical Technology Co., Lt
Tel
027-027-83855392 15827396479
Fax
QQ:2265885441
Email
wuhanfudechem03@sina.com
Country
China
ProdList
2291
Advantage
58
Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd.
Tel
133-96369453 18678026865
Fax
0536-2101172
Email
sdfantai@163.com
Country
China
ProdList
869
Advantage
58
Shanghai Taijilin Industrial Co., Ltd.
Tel
021-021-50630626 18964684208
Fax
021-50563898
Email
kate@tajilin.com
Country
China
ProdList
1232
Advantage
58
Beijing Century Richap Chemistry Co., Ltd.
Tel
010-64446226
Fax
+86 10 64455595
Email
info@bj-newcenturychem.com
Country
China
ProdList
111
Advantage
55
Anhui Dali Biotechnology Co. , Ltd.
Tel
15705632007
Fax
0563-6601666
Email
3383822427@qq.com
Country
China
ProdList
389
Advantage
58
Jiangxi Boye Medical Technology Co., Ltd
Tel
15387090420 15387090420
Email
2684361091@qq.com
Country
China
ProdList
491
Advantage
58
Shandong Luteida Chemical Co., Ltd.
Tel
15508613825 15508613825
Email
137739947@qq.com
Country
China
ProdList
63
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
94657
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
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View Lastest Price from 1,3-Cyclohexanedione manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
1,3-Cyclohexanedione 504-02-9
Price
US $70.00/kg
Min. Order
1kg
Purity
99
Supply Ability
5000
Release date
2024-05-24
Hebei Weibang Biotechnology Co., Ltd
Product
1,3-Cyclohexanedione 504-02-9
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-10-25
Hebei Yanxi Chemical Co., Ltd.
Product
1,3-Cyclohexanedione 504-02-9
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 tons
Release date
2024-01-31

504-02-9, 1,3-CyclohexanedioneRelated Search:

Cyclohexane 5,5-Dimethylhydroresorcinol(5,5-Dimethyl-1,3-Cyclohexanedione) 2,5-Hexanedione 5-(4-CHLOROPHENYL)-1,3-CYCLOHEXANEDIONE 5-PHENYLCYCLOHEXANE-1,3-DIONE 1,3-Cyclohexanedione, 2-methyl-,2-Methyl-1,3-cyclohexanedione, 98+% CYCLOHEXANEDIONE,1,4-Cyclohexanedione,98% 1,2-CYCLOHEXANEDIONE,1,2-Cyclohexanedione, 98+%,1,2-Cyclohexanedione,97% 4,4-Dimethyl-1,3-cyclohexanedione, GC 98% 5-ISOPROPYL-1,3-CYCLOHEXANEDIONE 2-ACETYL-1,3-CYCLOHEXANEDIONE 5-METHYLCYCLOHEXANE-1,3-DIONE 1,4-Dioxaspiro[4.5]decan-8-one 2-Ethyl-1,3-cyclopentanedione 1,2-CYCLOHEXANEDIONE DIOXIME 2-Methyl-1,3-cyclopentanedione 1,3-CYCLOHEXADIENE 1,3-Cyclohexanedione99%

  • 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-
  • 1,3-Cyclohexandione
  • Hydroresorcinol
  • Resorcinol, dihydro-
  • DIHYDRORESORCINOL
  • CYCLOHEXANE-1,3-DIONE
  • CHD
  • 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 &gt
  • [2-14C] cyclohexane-1,3-dione
  • 1,3-Cyclohexanedione, 97%, for synthesis
  • 1,3-Cyclohexanedione [for HPLC Labeling]&gt
  • 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
  • 504-02-9
  • 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
  • ketone
  • Intermediates