2-메틸사이클로헥사논

2-Methylcyclohexanone

HCID 11419CAS 583-60-8

기본 정보

표준 SMILES
CC1CCCCC1=O
InChIKey
LFSAPCRASZRSKS-UHFFFAOYSA-N
분자식
C7H12O
평균 분자량
112.17 g/mol
단동위원소 질량
112.088815

이름 및 식별자

우선 이름
2-Methylcyclohexanone
IUPAC
2-methylcyclohexan-1-one
현지명
2-메틸사이클로헥사논
영어명
2-Methylcyclohexanone
분자식
C7H12O
분자량
112.17

이름 및 동의어

2-METHYLCYCLOHEXANONE583-60-82-methylcyclohexan-1-oneo-Methylcyclohexanone2-Methyl-1-cyclohexanoneCyclohexanone, 2-methyl-2-Metilcicloesanonealpha-MethylcyclohexanoneMethylanonSexton B2-Methyl-cyclohexanonMETHYL ANONE
이름 더 보기
2-메틸사이클로헥사논o-메틸시클로헥사논O-메틸시클로헥산온2-메틸사이클로헥산온FEMA 3946sextonb[qr]2-Methylcyclohmethylanon[qr]1MethylcyclohexanonKetohexahydrotolueneo-Methylcycloexanone2-Methlcyclohexanone
NSC-52456E8224ZFJDTXSID6052245FEMA NO. 3946RefChem:88294DTXCID1030816209-513-6Tetrahydro-o-cresol

데이터베이스 식별자

CAS
583-60-8
PubChem CID
11419
DTXSID
DTXSID6052245
ChEMBL
CHEMBL1946183
ChEBI
CHEBI:195390
UNII
56E8224ZFJ
EC Number
209-513-6
Nikkaji
J3.301D

물성

구조 계산 물성

XLogP
1.5
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Odor · 3건

Acetone-like odor

Odor: characteristic: quality: peppermintlike

Weak, peppermint-like odor.

Density · 6건

0.93 (USCG, 1999) - Less dense than water; will float

0.925 at 20 °C/4 °C

0.924-0.926

0.93

0.92 @25 °C

0.93

Color/Form · 3건

Water-white to pale yellow liquid

Colorless liquid

Colorless liquid.

Solubility · 5건

Insoluble (NIOSH, 2024)

Insol in water; sol in alcohol and ether

insoluble in water; soluble in ether

Miscible at room temperature (in ethanol)

Insoluble

Flash Point · 4건

118 °F (USCG, 1999)

118 °F

118 °F

118 °F

Boiling Point · 6건

329 °F at 760 mmHg (USCG, 1999)

165.1 °C

162-163 °C

329 °F

165.1 °C @760 [mm Hg]

325 °F

물리화학적 성질

녹는점
-14 °C · -14 °C
끓는 점
162 · 162-163 °C (lit.)
밀도
0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
증기압
1 at · 1 at 20 °C (NIOSH, 1997)
FEMA
3946 · 3946 | 2-METHYLCYCLOHEXANONE
굴절률
20 · n20/D 1.448(lit.)

화학적 성질

2-Methylcyclohexanone has a weak, peppermint odor and burning sensation

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 · 5건

Chemical: Cyclohexanone, 2-methyl-

Regulation (EC) No 1334/2008 (amended)

Status: Active Update: 17-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33492

Cyclohexanone, 2-methyl-: HSNO Approval: HSR001199 Approved with controls

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.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Fire PotentialMODERATE FIRE RISK.
Health HazardsMay cause irritation of the eyes, nose and throat. Prolonged or repeated contact may cause dermatitis. (USCG, 1999)

안전 및 보호

Fire Fighting · 1건

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)

First Aid · 2건

Excerpt from NIOSH Pocket Guide for o-Methylcyclohexanone:;Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: SOAP WASH PROMPTLY - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water. Get medical attention promptly.;Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.;Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)

(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Soap wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water. Get medical attention promptly.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Cleanup MethodsAbsorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper.
Nonfire Spill Response · 1건

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)

Disposal Methods · 2건

Incineration

Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent.

Preventive Measures · 3건

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

독성 정보

Target OrgansSkin, respiratory system, liver, kidneys, central nervous system
Adverse EffectsNeurotoxin - Acute solvent syndrome;Occupational 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 Routesinhalation, skin absorption, ingestion, skin and/or eye contact
Signs and SymptomsIn Animals: irritation eyes, mucous membrane; narcosis; dermatitis
Human Toxicity Excerpts · 3건

IT HAS LOW TOXICITY FROM ABSORPTION THROUGH SKIN.

METHYLCYCLOHEXANONE IS NOT CONSIDERED A HAZARDOUS MATERIAL IN INDUSTRY; ITS CHIEF POTENTIAL IS /CNS DEPRESSION/ @ HIGH CONCN & IRRITATION @ LOWER LEVELS.

Nervous system disturbances - /CNS depression/

Non-Human Toxicity Excerpts · 1건

CONCN OF 450 PPM WERE IRRITATING TO EYES & RESP PASSAGES OF MICE. @ 2500 PPM RABBITS & CATS BECAME VERY SLEEPY, WITH DIFFICULT & IRREGULAR RESP, & UNCERTAIN & STAGGERING GAIT. ... SLIGHT CONJUNCTIVAL CONGESTION IN RABBITS REPEATEDLY EXPOSED @ 514 PPM /WAS FOUND/, BUT NO SYMPTOMS @ 182 PPM. EXPOSURE AT 2890 PPM FOR 4 HR WAS FATAL TO THREE OF SIX RATS.

규제 정보

Regulatory Information · 5건

Chemical: Cyclohexanone, 2-methyl-

Regulation (EC) No 1334/2008 (amended)

Status: Active Update: 17-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33492

Cyclohexanone, 2-methyl-: HSNO Approval: HSR001199 Approved with controls

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

OEB
A
OEL
TWA: 50 ppm (230 mg/m3), STEL: 75 ppm (345 mg/m3) [skin]
wgk
1
IDLA
600 ppm
tsca
TSCA listed
rtecs
GW1750000

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

WHEN A KETONE /METHYLCYCLOHEXANONE/ CAN BE REDUCED TO YIELD 2 PRODUCTS (IE, CIS- & TRANS-ALCOHOL), THE THERMODYNAMICALLY MORE STABLE ALC (ONE HAVING 2 EQUATORIAL SUBSTITUENTS) WAS ALWAYS FOUND TO PREDOMINATE. ...IN VIVO, MORE STABLE ALC REPRESENTED ABOUT 70% OF 2 PRODUCTS.

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

Uses · 4건

Used as a rust remover and a solvent to make lacquers, varnishes, and plastics; [ACGIH]

Painting (Solvents) [Category: Paint];Plastic Composites Manufacturing [Category: Industry]

SOLVENT; LACQUERS

Rust remover

U.S. Production(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Methods of Manufacturing · 2건

OXIDATION (DEHYDROGENATION) OF 2-METHYLCYCLOHEXANOL

...BY HIGH-TEMPERATURE, CATALYTIC HYDROGENATION OF CRESOLS OR BY THE DEHYDROGENATION OF METHYLCYCLOHEXANOL.

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationCyclohexanone, 2-methyl-: ACTIVE
응용 분야 · 3건

출처Reported found in cockroaches as attractant pheromone; not reported found in natural foods

용도2-Methylcyclohexanone can be used as solvent, lacquers.It has been suggested for use in soap perfumes, industrial fragrances, masking odors, etc. where its power and stability come to use. It may give "lift" to woody soap perfumes and add power to spicy-herbaceous fragrances, but its proper odor is not exactly beautiful.

일반 설명A water-white to pale yellow liquid with an acetone-like odor. Less dense than water. Vapors heavier than air. Flash point near 135°F. May be toxic by ingestion. Used as a solvent.

제조 방법 · 2건

생산 방법2-Methylcyclohexanone is manufactured by the catalytic hydrogenation of o-cresol or by the dehydrogenation of o-methylcyclohexanol. Methylcyclohexanones are used in small amounts as general purpose solvents for cellulose-based finishes and coatings.

From cyclohexanone by treatment with a base and then with methyl iodide

공급사50 곳

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