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2,6-Dimethyl-2,5-heptadien-4-one

2,6-Dimethyl-2,5-heptadien-4-one structure

CAS No.: 504-20-1

Chemical Name:: 2,6-Dimethyl-2,5-heptadien-4-one

Synonyms: PHORONE;Foron;5-Heptadien-4-one;s-Diisopropylidene acetone;Phoron;SYM-DIISOP;Phorone,98+%;diisobutenylketone;Diisobutenyl ketone;diisopropylidineacetone

CBNumber:: CB9351608

Molecular Formula:: C9H14O

Molecular Weight:: 138.21

MDL Number:: MFCD00008901

MOL File:: 504-20-1.mol

MSDS File:: SDS

Last updated:2023-11-27 13:13:26

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2,6-Dimethyl-2,5-heptadien-4-one Properties

Melting point	23-26 °C(lit.)
Boiling point	198-199 °C(lit.)
Density	0.885 g/mL at 25 °C(lit.)
vapor density	4.8 (vs air)
vapor pressure	0.38 mm Hg ( 20 °C)
refractive index	n20/D 1.497(lit.)
Flash point	175 °F
storage temp.	2-8°C
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Solid
color	Light Yellow to Yellow
Merck	7333
InChI	InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3
InChIKey	MTZWHHIREPJPTG-UHFFFAOYSA-N
SMILES	C/C(/C)=C\C(=O)/C=C(\C)/C
CAS DataBase Reference	504-20-1(CAS DataBase Reference)
FDA UNII	8F20OEI0MV
EPA Substance Registry System	Phorone (504-20-1)

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H315-H319-H335

Precautionary statements

P261-P305+P351+P338

WGK Germany

RTECS

MI5500000

HS Code

2914199090

NFPA 704

	2
2		0

2,6-Dimethyl-2,5-heptadien-4-one price More Price(15)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	149233	2,6-Dimethyl-2,5-heptadien-4-one 95%	504-20-1	10G	$25.5	2023-06-20	Buy
Sigma-Aldrich	149233	2,6-Dimethyl-2,5-heptadien-4-one 95%	504-20-1	100G	$113	2023-06-20	Buy
TRC	D473415	DiisopropylideneAcetone	504-20-1	5G	$90	2021-12-16	Buy
Oakwood	075754	2,6-Dimethyl-2,5-heptadien-4-one	504-20-1	250mg	$10	2021-12-16	Buy
Matrix Scientific	074268	2,6-Dimethyl-2,5-heptadien-4-one 95+%	504-20-1	5g	$38	2021-12-16	Buy

Product number	Packaging	Price	Buy
149233	10G	$25.5	Buy
149233	100G	$113	Buy
D473415	5G	$90	Buy
075754	250mg	$10	Buy
074268	5g	$38	Buy

2,6-Dimethyl-2,5-heptadien-4-one Chemical Properties,Uses,Production

Description

2,6-Dimethyl-2,5-heptadien-4-one (DMHD4O) is an industrially important diene molecule chemically known as phorone or diisopropylidene acetone, available in the form of yellow to green liquid and yellowish green prisms. It is a self-condensation product of acetone and can also be obtained from camphor. In particular, it is used as a solvent for nitrocellulose, synthetic resins, fibers, coating compositions, stains, lubricant additives, odor-resistant agent production, and intermediate for organic and pharmaceutical synthesis[1]. This compound possesses the property of increasing the reactivity of enzymes involved in glutathione metabolism.

Chemical Properties

Yellow liquid or yellow green prismatic crystal

Uses

Diisopropylidene Acetone is a reagent used in the preparation of biaryls by Suzuki-Miyaura cross coupling reaction.

Definition

ChEBI: Phorone is a dialkenyl ketone.

General Description

A yellowish liquid with a solvent-like odor. Density 7.3 lb / gal. Very low vapor pressure (0.38 mm Hg at 68°F). Flash point 185°F. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.

Air & Water Reactions

Slightly soluble in water.

Reactivity Profile

Ketones, such as 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Safety Profile

Moderately toxic by subcutaneous route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ISOPHORON

Purification Methods

Crystallise phorone repeatedly from EtOH. [Beilstein 1 IV 3564.]

References

[1] V. Arjunan. “Electronic structure simulations of 2,6-dimethyl-2,5-heptadien-4-one by FTIR, FT-Raman, NMR, UV–vis, NBO and density functional theory.” Molecular Simulation 39 1 (2013): 185–198.

2,6-Dimethyl-2,5-heptadien-4-one synthesis

Synthesis of 2,6-Dimethyl-2,5-heptadien-4-one from 2,2,6,6-tetramethyl-1-nitroso-4-piperidone

2,6-Dimethyl-2,5-heptadien-4-one Preparation Products And Raw materials

Raw materials

2-BROMOBENZYLAMINE 4-AMINOMETHYL-BENZOIC ACID ETHYL ESTER 3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL 3-Bromobenzylamine 1-Phenyl-2-propen-1-one

Preparation Products

2,6-Dimethyl-4-heptanone 1 2 2 6 6-PENTAMETHYL-4-PIPERIDONE 97 spirobishexahydropyrimidine

2,6-Dimethyl-2,5-heptadien-4-one Suppliers

Global( 159)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Xi'an Tuochao Biotechnology Co., Ltd	+86-02988764766 +86-18092957403	chen.zeshan@xatuochao.com	China	210	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
career henan chemical co	+86-0371-86658258	sales@coreychem.com	China	29914	58
Zhejiang ZETian Fine Chemicals Co. LTD	18957127338	stella@zetchem.com	China	2141	58
Hubei Jusheng Technology Co.,Ltd.	18871490254	linda@hubeijusheng.com	CHINA	28180	58
Accela ChemBio Inc.	(+1)-858-699-3322	info@accelachem.com	United States	19965	58
Chongqing Chemdad Co., Ltd	+86-023-61398051 +8613650506873	sales@chemdad.com	China	39916	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63711	58
Synbest Biotech(Hangzhou) Co., Ltd	86-571-88737065	sales@synbestech.com	CHINA	171	58
Shaanxi Dideu Medichem Co. Ltd	+86-29-87569266 15319487004	1015@dideu.com	China	2263	58

Supplier	Advantage
Xi'an Tuochao Biotechnology Co., Ltd	58
Capot Chemical Co.,Ltd.	60
career henan chemical co	58
Zhejiang ZETian Fine Chemicals Co. LTD	58
Hubei Jusheng Technology Co.,Ltd.	58
Accela ChemBio Inc.	58
Chongqing Chemdad Co., Ltd	58
Alchem Pharmtech,Inc.	58
Synbest Biotech(Hangzhou) Co., Ltd	58
Shaanxi Dideu Medichem Co. Ltd	58

View Lastest Price from 2,6-Dimethyl-2,5-heptadien-4-one manufacturers

Image	Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
	2022-02-25	Phorone 504-20-1	US $1.23 / KG	500g	99%	20TONS	Hong Kong Tiansheng New Material Trading Co., Ltd
	2019-07-06	2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE 504-20-1	US $1.00 / kg	1kg	99%	Customized	Career Henan Chemical Co

Phorone
504-20-1
US $1.23 / KG
99%
Hong Kong Tiansheng New Material Trading Co., Ltd

2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE
504-20-1
US $1.00 / kg
99%
Career Henan Chemical Co

2,6-Dimethyl-2,5-heptadien-4-one Spectrum

2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE(504-20-1)MS 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE(504-20-1)¹HNMR 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE(504-20-1)¹³CNMR 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE(504-20-1)IR1

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diisopropylidineacetone Phoron DIISOPROPYLIDENEACETONE 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE 2,6-DIMETHYL-2,5-HEPTADIENE-4-ONE SYM-DIISOPROPYLIDENEACETONE Diisopropyllideneacetone Phorone,98+% diiosopropylideneacetone 2,5-HEPTADIEN-4-ONE,2,6-DIMET 3,6-dimethyl-2,5-hexadien-4-one Bis(2-methyl-1-propenyl) ketone Diisopropylydeneacetone Phorone, sym-Diisopropylideneacetone 5-Heptadien-4-one,2,6-dimethyl-2 Diisobutenyl ketone diisobutenylketone 2,5-Heptadien-4-one,2,6-dimethyl- 2,6-dimethyl-5-heptadien-4-one 2,6-dimethyl-hepta-2,5-dien-4-one SYM-DIISOP Foron s-Diisopropylidene acetone PHORONE 5-Heptadien-4-one Metamfepramone Impurity 4 (Diisopropylidene Acetone) 504-20-1 CH32CCH2CO UCH32CCH22CO CH32CCHCOCHCCH32 COCHCH322 Building Blocks Carbonyl Compounds C9 Ketones Organic Building Blocks