Phorone

HCID 10438CAS 504-20-1

Grundinformationen

Standard-SMILES
CC(C)=CC(=O)C=C(C)C
InChIKey
MTZWHHIREPJPTG-UHFFFAOYSA-N
Summenformel
C9H14O
Durchschnittliche Molmasse
138,21 g/mol
Monoisotopische Masse
138,10446507

Namen und Bezeichner

Bevorzugter Name
Phorone
IUPAC
2,6-dimethylhepta-2,5-dien-4-one
Englischer Name
2,6-Dimethyl-2,5-heptadiene-4-one
Summenformel
C9H14O
Molmasse
0

Namen und Synonyme

2,6-Dimethyl-2,5-heptadien-4-one504-20-1PHORONE2,6-Dimethylhepta-2,5-dien-4-oneDiisopropylidene acetoneForonDiisobutenyl ketone2,5-Heptadien-4-one, 2,6-dimethyl-Phorondiisopropylideneacetonesym-Diisopropylidene acetoneDTXSID1021584
Weitere Namen anzeigen
8F20OEI0MVNSC-38718DTXCID101584CHEBI:35572RefChem:861890207-986-3Phoron [German]s-Diisopropylidene acetone

Datenbank-Bezeichner

CAS
504-20-1
PubChem CID
10438
DTXSID
DTXSID1021584
ChEMBL
CHEMBL2766015
ChEBI
CHEBI:35572
UNII
8F20OEI0MV
EC Number
207-986-3
Nikkaji
J4.072J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

DensityRelative density (water = 1): 0.9
SolubilitySolubility in water: poor
Flash Point · 2 Einträge

185 °F (NFPA, 2010)

85 °C o.c.

Boiling Point198 °C
Melting Point28 °C
Vapor DensityRelative vapor density (air = 1): 4.8

Physikochemische Eigenschaften

Schmelzpunkt
28 °C · 28 °C
Siedepunkt
198 °C · 198 °C
Dichte
0.9 g/cm3 · 0.9 g/cm3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS ClassificationNot Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

2,5-Heptadien-4-one, 2,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelCombustible Liquid
Fire Hazards · 2 Einträge

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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.). 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 will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)

Combustible. Above 85 °C explosive vapour/air mixtures may be formed.

Health Hazards · 1 Eintrag

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. 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 asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

Hazards Summary · 1 Eintrag

Causes diffuse hepatitis, other liver changes, and effects on proteins, transaminases, and mitochondrial function in acute intraperitoneal studies of rats; [RTECS] No listed effects of short-term or long-term exposure; Contact with skin or eyes may cause redness and pain; Inhalation may cause cough, shortness of breath, and sore throat; [ICSC]

Reactive GroupKetones;Hydrocarbons, Aliphatic Unsaturated

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;CAUTION: The majority of 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. If regular foam is ineffective or unavailable, use alcohol-resistant foam.;LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use powder, AFFF, foam, carbon dioxide.

First Aid Measures · 4 Einträge

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.

Rinse mouth. Refer for medical attention .

First Aid · 1 Eintrag

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;Refer to the "General First Aid" section. Specific First Aid: 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. (ERG, 2024)

Nonfire Spill Response · 1 Eintrag

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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, 2024)

Spillage Disposal · 1 Eintrag

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.

Isolation and Evacuation · 1 Eintrag

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;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 tank car or highway tank 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, 2024)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 4 Einträge

Cough. Shortness of breath. Sore throat.

Redness.

Redness. Pain.

Abdominal pain. Nausea.

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

2,5-Heptadien-4-one, 2,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

An industrial solvent. [ChemIDplus] Used as a solvent for lacquers and coatings; [CAMEO]

Painting (Solvents) [Category: Paint]

General Manufacturing Information2,5-Heptadien-4-one, 2,6-dimethyl-: ACTIVE

Anbieter50 Anbieter

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