Phorone

HCID 10438CAS 504-20-1

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

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
名称をさらに表示
8F20OEI0MVNSC-38718DTXCID101584CHEBI:35572RefChem:861890207-986-3Phoron [German]s-Diisopropylidene acetone

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

実験および物理化学的性質

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

185 °F (NFPA, 2010)

85 °C o.c.

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

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

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.

危険有害性情報

Regulatory Information · 2 件

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 件

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 件

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 件

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

安全と保護具

Fire Fighting · 2 件

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 件

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 件

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 件

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 件

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 件

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

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 件

Cough. Shortness of breath. Sore throat.

Redness.

Redness. Pain.

Abdominal pain. Nausea.

法規制情報

Regulatory Information · 2 件

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 · 2 件

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

サプライヤー50 社

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関連反応

22 件

関連ノート

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