基本情報
- 標準SMILES
CC(C)=CC(=O)C=C(C)C- InChIKey
MTZWHHIREPJPTG-UHFFFAOYSA-N- 分子式
- C9H14O
- 平均分子量
- 138.21 g/mol
- 単同位体質量
- 138.10446507
名称と識別子
- 優先名称
- Phorone
- IUPAC
- 2,6-dimethylhepta-2,5-dien-4-one
- 英語名
- 2,6-Dimethyl-2,5-heptadiene-4-one
- 分子式
- C9H14O
- 分子量
- 0
名称と別名
名称をさらに表示
データベース識別子
- CAS
504-20-1- PubChem CID
- 10438
- DTXSID
DTXSID1021584- ChEMBL
CHEMBL2766015- ChEBI
CHEBI:35572- UNII
- 8F20OEI0MV
- EC Number
- 207-986-3
- Nikkaji
- J4.072J
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 157
実験および物理化学的性質
Flash Point
185 °F (NFPA, 2010)
85 °C o.c.
Vapor Pressure
0.38 [mmHg]
Vapor pressure, Pa at 20 °C: 51
Physical Description
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 liquid or yellowish-green solid; mp = 28 deg C; [Merck Index] Clear dark yellow liquid; mp = 23-26 deg C; [Sigma-Aldrich MSDS]
YELLOW-TO-GREEN LIQUID OR CRYSTALS.
Kovats Retention Index
1092
1564;1492.9
物理化学的性質
- 融点
- 28 °C · 28 °C
- 沸点
- 198 °C · 198 °C
- 比重(密度)
- 0.9 g/cm3 · 0.9 g/cm3
安全と法規制
GHS分類
危険有害性情報
Regulatory Information
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.
Fire Hazards
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
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
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]
Reactivity Profile
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.
安全と保護具
Fire Fighting
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
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
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
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
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
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)
毒性情報
Signs and Symptoms
Cough. Shortness of breath. Sore throat.
Redness.
Redness. Pain.
Abdominal pain. Nausea.
法規制情報
Regulatory Information
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.
化学と産業
用途と製造
Uses
An industrial solvent. [ChemIDplus] Used as a solvent for lacquers and coatings; [CAMEO]
Painting (Solvents) [Category: Paint]
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