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1,3-Cyclohexanedione

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;Hydroresorcinol;Dihydroresorcin;1,3-CYCLOHEXANONE

CBNumber:: CB8319650

Molecular Formula:: C6H8O2

Molecular Weight:: 112.13

MDL Number:: MFCD00001585

MOL File:: 504-02-9.mol

MSDS File:: SDS

Last updated:2024-04-15 18:41:30

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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
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)

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS05,GHS07

Signal word

Danger

Hazard statements

H302-H318-H412

Precautionary statements

P273-P280-P301+P312+P330-P305+P351+P338+P310

Safety Statements

24/25

WGK Germany

RTECS

GV0350000

8-21

TSCA

Yes

HS Code

29142900

NFPA 704

	1
2		0

1,3-Cyclohexanedione price More Price(45)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	C101605	1,3-Cyclohexanedione 97%	504-02-9	5g	$60.9	2024-03-01	Buy
Sigma-Aldrich	C101605	1,3-Cyclohexanedione 97%	504-02-9	100g	$95.5	2024-03-01	Buy
TCI Chemical	A5581	1,3-Cyclohexanedione [for HPLC Labeling] >98.0%(GC)(T)	504-02-9	5g	$69	2024-03-01	Buy
TCI Chemical	C0682	1,3-Cyclohexanedione >98.0%(GC)(T)	504-02-9	25g	$22	2024-03-01	Buy
Alfa Aesar	A11109	1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl	504-02-9	50g	$26.65	2024-03-01	Buy

Product number	Packaging	Price	Buy
C101605	5g	$60.9	Buy
C101605	100g	$95.5	Buy
A5581	5g	$69	Buy
C0682	25g	$22	Buy
A11109	50g	$26.65	Buy

1,3-Cyclohexanedione Chemical Properties,Uses,Production

Chemical Properties

pale yellow to beige powder

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.

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.

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 synthesis

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( 639)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Zouping mingyuan import & export trading co., ltd	+86-0543-2240078 +8618364991597	myzhao793@163.com	China	994	58
Hebei Mojin Biotechnology Co., Ltd	+8613288715578	sales@hbmojin.com	China	12456	58
Hebei Yanxi Chemical Co., Ltd.	+8617531190177	peter@yan-xi.com	China	5993	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	7845	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	15928	58
Dalian Richfortune Chemicals Co., Ltd	0411-84820922 8613904096939	sales@richfortunechem.com	China	303	57
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21691	55
Jiangsu Qingquan Chemical Co., Ltd.	+86-571-86589381,86589382,86589383	sales1@qqpharm.com	CHINA	154	55
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	32480	60

Supplier	Advantage
Zouping mingyuan import & export trading co., ltd	58
Hebei Mojin Biotechnology Co., Ltd	58
Hebei Yanxi Chemical Co., Ltd.	58
Henan Fengda Chemical Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Shanghai Daken Advanced Materials Co.,Ltd	58
Dalian Richfortune Chemicals Co., Ltd	57
Henan Tianfu Chemical Co.,Ltd.	55
Jiangsu Qingquan Chemical Co., Ltd.	55
ATK CHEMICAL COMPANY LIMITED	60

View Lastest Price from 1,3-Cyclohexanedione manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2024-04-15	1,3-Cyclohexanedione 504-02-9	US $5.00-0.10 / KG	1KG	99%	g-kg-tons, free sample is available	Henan Fengda Chemical Co., Ltd
2024-01-31	1,3-Cyclohexanedione 504-02-9	US $0.00 / kg	1kg	99%	20 tons	Hebei Yanxi Chemical Co., Ltd.
2023-09-14	1,3-Cyclohexanedione 504-02-9	US $0.00 / KG	1KG	99%	50000KG/month	Hebei Mojin Biotechnology Co., Ltd

1,3-Cyclohexanedione
504-02-9
US $5.00-0.10 / KG
99%
Henan Fengda Chemical Co., Ltd

1,3-Cyclohexanedione
504-02-9
US $0.00 / kg
99%
Hebei Yanxi Chemical Co., Ltd.

1,3-Cyclohexanedione
504-02-9
US $0.00 / KG
99%
Hebei Mojin Biotechnology Co., Ltd

1,3-Cyclohexanedione Spectrum

1,3-Cyclohexanedione(504-02-9)MS 1,3-Cyclohexanedione(504-02-9)¹HNMR 1,3-Cyclohexanedione(504-02-9)¹³CNMR 1,3-Cyclohexanedione(504-02-9)IR1 1,3-Cyclohexanedione(504-02-9)IR2 1,3-Cyclohexanedione(504-02-9)IR3 1,3-Cyclohexanedione(504-02-9)IR 1,3-Cyclohexanedione(504-02-9)Raman

504-02-9(1,3-Cyclohexanedione)Related 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%

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1,3-Benzenediol, dihydro- Hydroresorcinol Resorcinol, dihydro- 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 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 Nitisinone Impurity 1（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 Cyclohexan-1,3-dion ohexanedione Molindone Impurity B 1,3-Cyclohexandione DIHYDRORESORCINOL CYCLOHEXANE-1,3-DIONE 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