4-메톡시-4-메틸-2-펜탄온

4-Methoxy-4-methyl-2-pentanone

HCID 7884CAS 107-70-0

기본 정보

표준 SMILES
COC(C)(C)CC(C)=O
InChIKey
KOKPBCHLPVDQTK-UHFFFAOYSA-N
분자식
C7H14O2
평균 분자량
130.18 g/mol
단동위원소 질량
130.09937969

이름 및 식별자

우선 이름
4-Methoxy-4-methyl-2-pentanone
IUPAC
4-methoxy-4-methylpentan-2-one
현지명
4-메톡시-4-메틸-2-펜탄온
영어명
4-METHOXY-4-METHYL-2-PENTANONE
분자식
C7H14O2
분자량
130.18

이름 및 동의어

4-METHOXY-4-METHYL-2-PENTANONE4-Methoxy-4-methylpentan-2-onePentoxone2-Pentanone, 4-methoxy-4-methyl-ME 6 KNSC 48083CCRIS 4840DTXSID2025557HSDB 1153EINECS 203-512-4UN2293BRN 1747866
이름 더 보기
4-메톡시-4-메틸-2-펜타논4-메톡시-4-메틸펜타논-24-메톡시-4-메틸-2-펜탄온me6kpent-oxonesolventPent-Oxone Solventmethoxy-4methyl-4pentanone-24-Methoxy-4-methylpentan-2-on4-methoxy-4-methylpentanone-24-methoxy-4-methyl-2-pentanon
UNII-02RA332R13NSC-4808302RA332R13DTXCID8055572-Pentanone, 4-methyl-4-methoxy4-01-00-04024 (Beilstein Handbook Reference)UN 22934-METHOXY-4-METHYL-2-PENTANONE [HSDB]

데이터베이스 식별자

CAS
107-70-0
PubChem CID
7884
DTXSID
DTXSID2025557
ChEMBL
CHEMBL3185318
UNII
02RA332R13
EC Number
203-512-4
Nikkaji
J22.144I

물성

구조 계산 물성

XLogP
0.4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
9

실험 및 물리화학적 성질

LogP0.36
DensityRelative density (water = 1): 0.89
Color/FormWATER-WHITE LIQUID
Solubility · 3건

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

Water solubility of 280,000 mg/l at 25 °C.

Solubility in water, g/100ml at 25 °C: 28

Flash Point · 3건

141 °F (NTP, 1992)

61 °C

60 °C c.c.

Boiling Point · 3건

297 to 325 °F at 760 mmHg (NTP, 1992)

147-163 °C

160 °C

물리화학적 성질

끓는 점
156 °C · 156°C
밀도
0 · 0,91 g/cm3
굴절률
1.418 · 1.4180
인화점
48 °C · 48°C
수용성
물에 용해됨
물리적 상태
투명한 액체

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids];H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory Information · 4건

Chemical: 2-Pentanone, 4-methoxy-4-methyl-

2-Pentanone, 4-methoxy-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentanone, 4-methoxy-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

4-Methoxy-4-methylpentan-2-one: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 3건

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)

· 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, GUIDE 147 (lithium ion or sodium ion batteries) or GUIDE 138 (sodium batteries) should also be consulted.;· If molten aluminum is involved, refer to GUIDE 169.

Flammable. Above 60 °C explosive vapour/air mixtures may be formed.

Fire PotentialMODERATE FIRE RISK.
Health Hazards · 2건

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)

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.

Hazards SummaryA skin and eye irritant; [HSDB] A skin, eye, and respiratory tract irritant; Can cause aspiration pneumonitis after ingestion; [ICSC]

안전 및 보호

Fire Fighting · 2건

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 water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep cylinder cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest.

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. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· 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.

First Aid · 2건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· Wash skin with soap and water.

Safe StorageFireproof. Separated from strong oxidants.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Evaporation from surfaces is an important environmental transport process for 4-methoxy-4-methyl-2-pentanone. The time required to evaporate about 50% of applied 4-methoxy-4-methyl-2-pentanone from a typical solvent application in lacquers, thinners, and paints is about 20 minutes(1). When released to moist soil, 4-methoxy-4-methyl-2-pentanone may leach readily based upon an estimated Koc value of 4,4(2,SRC). Since 4-methoxy-4-methyl-2-pentanone can be degraded by direct photolysis at environmental wavelengths(3), photodegradaton may occur on sunlit surfaces. Insufficient data are available to predict the importance of biodegradation(SRC).

AQUATIC FATE: 4-Methoxy-4-methyl-2-pentanone can be degraded by direct photolysis at environmentally relevant wavelenghts(1); although the photolysis rate in the environment is not certain. This process may contribute to its removal from sunlit water. Volatilization from water is slow. The volatilization half-lives from a model environmental river (1 meter deep) and model pond have been estimated to be 22 days and 236 days, respectively(2-3,SRC). Insufficient data are available to predict the importance of biodegradation. Aquatic hydrolysis bioconcentration, and adsorption to sediment are not expected to be important(SRC).

ATMOSPHERIC FATE: Based upon an extrapolated vapor pressure of 3.16 mm Hg at 25 °C(1), 4-methoxy-4-methyl-2-pentanone is expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2,SRC). It is expected to degrade in an average ambient atmosphere by reaction with photochemicall produced hydroxyl radicals with an estimated half-life of about 3.1 days(3,SRC). 4-Methoxy-4-methyl-2-pentanone can be degraded by direct photolysis at environmentally relevant wavelengths(4); although the photolysis rate in the environment is not certain, this process may contribute to atmospheric removal. Physical removal via wet deposition is likely since 4-methoxy-4-methyl-2-pentanone is very soluble in water. (SRC)

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 3건

Cough. Sore throat.

Redness.

Redness. Pain.

Soil Adsorption/Mobility · 1건

Based upon a water solubility of 280,000 mg/l at 25 °C(1), the Koc for 4-methoxy-4-methyl-2-pentanone can be estimated to be 4.4 from a regression-derived equation(2,SRC). This Koc value suggests that 4-methoxy-4-methyl-2-pentanone has very high soil mobility(3).

Artificial Pollution Sources4-Methoxy-4-methyl-2-pentanone's use as a solvent in variety of resin coating(1) will release the compound directly to air through evaporation(SRC).

규제 정보

Regulatory Information · 4건

Chemical: 2-Pentanone, 4-methoxy-4-methyl-

2-Pentanone, 4-methoxy-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentanone, 4-methoxy-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

4-Methoxy-4-methylpentan-2-one: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

안전 데이터

wgk
WGK 1
tsca
TSCA listed
rtecs
SA7000000
ridadr
UN 2293
HS 번호
2914.50.5000
risk_code
10-20

화학 및 산업

용도 및 제조

Uses · 2건

Used as a solvent for various resin coatings; [HSDB]

SOLVENT FOR VARIOUS RESIN COATINGS.

U.S. Production · 3건

2023: 50,000 - <250,000 lb;2022: 50,000 - <250,000 lb;2021: <50,000 lb;2020: <50,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Industry UsesCatalyst
Methods of ManufacturingDEHYDRATION OF DIACETONE ALCOHOL TO MESITYL OXIDE FOLLOWED BY REACTION WITH METHANOL IN THE PRESENCE OF AN ACID.
General Manufacturing Information · 3건

Plastics Product Manufacturing

2-Pentanone, 4-methoxy-4-methyl-: ACTIVE

THE FORMATION OF CMPD WHICH ARE PRECURSORS TO MESITYL OXIDE, SUCH AS PENTOXONE, SHOULD BE PREVENTED TO AVOID CATTY ODOR DEVELOPING IN INDUSTRIAL WASTE WATERS & SEWAGE.

응용 분야

용도Solvent for a variety of resin coatings.

일반 설명A clear colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 140°F. Used as a solvent.

공급사35 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]

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