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

ChemicalBook > CAS DataBase List > 2,6-Dimethyl-2,5-heptadien-4-one

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

Product Name: 2,6-Dimethyl-2,5-heptadien-4-one
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
Formula Weight: 138.21
MOL File: 504-20-1.mol

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

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)
EPA Substance Registry System: Phorone (504-20-1)

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Safety

WGK Germany: 3
RTECS: MI5500000
HS Code: 2914199090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 149233
Product name: 2,6-Dimethyl-2,5-heptadien-4-one
Purity: 95%
Packaging: 10G
Price: $25.5
Updated: 2023/06/20

Sigma-Aldrich

Product number: 149233
Product name: 2,6-Dimethyl-2,5-heptadien-4-one
Purity: 95%
Packaging: 100G
Price: $113
Updated: 2023/06/20

TRC

Product number: D473415
Product name: DiisopropylideneAcetone
Packaging: 5G
Price: $90
Updated: 2021/12/16

Oakwood

Product number: 075754
Product name: 2,6-Dimethyl-2,5-heptadien-4-one
Packaging: 250mg
Price: $10
Updated: 2021/12/16

Matrix Scientific

Product number: 074268
Product name: 2,6-Dimethyl-2,5-heptadien-4-one
Purity: 95+%
Packaging: 5g
Price: $38
Updated: 2021/12/16

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

Raw materials

Preparation Products

2,6-Dimethyl-4-heptanone

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

Hong Kong Tiansheng New Material Trading Co., Ltd

Product: Phorone 504-20-1
Price: US $1.23/KG
Min. Order: 500g
Purity: 99%
Supply Ability: 20TONS
Release date: 2021-12-16

Career Henan Chemical Co

Product: 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE 504-20-1
Price: US $1.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: Customized
Release date: 2018-12-17

504-20-1, 2,6-Dimethyl-2,5-heptadien-4-oneRelated Search:

2,6-Dimethyl-2,5-heptadien-4-one Leucodin hydroxyachillin 3,5-Dibromo-2,6-dimethyl-2,5-heptadien-4-one (3S,3AR,4S,9AS,9BR)-4-HYDROXY-3,6,9-TRIMETHYL-3,3A,4,5,9A,9B-HEXAHYDRO-AZULENO[4,5-B]FURAN-2,7-DIONE 7-[(tert-Butyloxycarbonyl)amino]-2,6-dimethyl-2,5-heptadien-4-one PHORONE, (2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE) 3-Heptyl-6,6-dimethyl-3,4-heptadien-2-one 2,6-Dimethyl-2,5-heptadien-4-one(Phorone) 4,6-Dimethyl-3,5-heptadien-2-one SALOR-INT L160083-1EA molephantinin (3S)-4β-Acetoxy-3,3aβ,4,5,9aβ,9bα-hexahydro-3β,6,9-trimethylazuleno[4,5-b]furan-2,7-dione 2,5-BIS(CYCLOPENTYLLIDENE)CYCLOPENTANONE-1 AURORA KA-491 molephantin AKOS NCG-0033

diisopropylidineacetone

Foron

Phoron

s-Diisopropylidene acetone

DIISOPROPYLIDENEACETONE

2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE

2,6-DIMETHYL-2,5-HEPTADIENE-4-ONE

SYM-DIISOPROPYLIDENEACETONE

PHORONE

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

5-Heptadien-4-one

SYM-DIISOP

2,5-Heptadien-4-one,2,6-dimethyl-

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

2,6-dimethyl-hepta-2,5-dien-4-one

Metamfepramone Impurity 4 (Diisopropylidene Acetone)

504-20-1

CH32CCH2CO

UCH32CCH22CO

CH32CCHCOCHCCH32

COCHCH322

Building Blocks

Carbonyl Compounds

Ketones

Organic Building Blocks