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Phorone

Phorone structure

Phorone 

structure
  • CAS No:

    504-20-1

  • Formula:

    C9H14O

  • Chemical Name:

    Phorone

  • Synonyms:

    2,5-Heptadien-4-one,2,6-dimethyl-;2,6-Dimethyl-2,5-heptadien-4-one;Diisopropylidene acetone;sym-Diisopropylidene acetone;Phorone;Diisobutenyl ketone;Foron;NSC 38718;NSC 403517

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Yellow liquid or yellow green prismatic crystal


Phorone appears as a yellowish liquid with a solvent-like odor. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.|YELLOW-TO-GREEN LIQUID OR CRYSTALS.


Phorone appears as a yellowish liquid with a solvent-like odor. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.|Phorone is a dialkenyl ketone.

Phorone Basic Attributes

138.21

138.21

207-986-3

8F20OEI0MV

1157

403517|38718

1993

DTXSID1021584

2914190090

Characteristics

17.1

2.8

Phorone appears as a yellowish liquid with a solvent-like odor. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.

0.9 g/cm3

28 °C

198 °C

79.4±0.0 °C

1.454

Solubility in water: poor

0.38 mm Hg ( 20 °C)

Relative vapour density (air = 1): 4.8

Explosive limits , vol% in air: 0.8-3.8

Slightly soluble in water.

Ketones

Ketones, such as PHORONE, 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.

Safety Information

1993

3

MI5500000

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)|Combustible. Above 85 °C explosive vapour/air mixtures may be formed.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective. SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)|Use powder, AFFF, foam, carbon dioxide.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)

Explosive limits , vol% in air: 0.8-3.8

Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. If solid: sweep spilled substance into containers. Carefully collect remainder. Then store and dispose of according to local regulations.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

NO open flames. Above 85 °C use a closed system and ventilation.

Avoid inhalation of dust and mist. Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

Drug Information

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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. (ERG, 2016)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. (ERG, 2016)


Fresh air, rest. Refer for medical attention.


Remove contaminated clothes. Rinse skin with plenty of water or shower.


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

diisopropylideneacetone

The substance can be absorbed into the body by inhalation.

Cough. Shortness of breath. Sore throat.


Redness.


Redness. Pain.

Phorone Use and Manufacturing

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

Computed Properties

Molecular Weight:138.21
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:138.104465066
Monoisotopic Mass:138.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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