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
Carbosynth
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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