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メチルシクロヘキサン

Methylcyclohexane

HCID 7962
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印刷プレビュー
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
108-87-2
標準SMILES
CC1CCCCC1
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
分子式
C7H14
平均分子量
98.19 g/mol
単同位体質量
98.10955045

概要

Methylcyclohexane appears as a clear colorless liquid with a petroleum-like odor. Flash point 25 °F. Less dense than water and insoluble in water. Vapors heavier than air.

名称と識別子

優先名称
Methylcyclohexane
IUPAC
methylcyclohexane
現地名
メチルシクロヘキサン
英語名
Methylcyclohexane
分子式
C7H14
分子量
98.19

名称と別名

METHYLCYCLOHEXANE108-87-2HexahydrotolueneCyclohexylmethaneCyclohexane, methyl-Toluene hexahydrideSextone BHexahydroxytolueneToluene, hexahydro-MetylocykloheksanDTXSID0047749H5WXT3SV31
名称をさらに表示
メチルシクロヘキサンシクロヘキシルメタンヘキサヒドロトルエンメチルシクロヘキサン [高速液体クロマトグラフィー用]メチルシクロヘキサン [吸光分析用]メチルシクロヘキサン(脱水)メチルシクロヘキサン(脱水) ‐SUPER‐メチルLシクロヘキサン REAGENTPLUS,99%メチルLシクロヘキサン SPECTROPHOTOMETRIC GRADE,99%メチルシクロヘキサン, スペクトロゾール®メチルシクロヘキサン(脱水) -Super-Cyclohexane,methyl-sextonebMethylcyclohexmethylecyclohexaneMETHYLCYCLOHEXANE,OMNISOLVResidual Solvent Class 2 - MethylcyclohexaneheptanaphtheneThiolite HAT 1
NSC-9391DTXCID4027733CHEBI:165745RefChem:6030TOLUENE, HEXAHYDRO203-624-3methyl cyclohexanemethyl-cyclohexane

データベース識別子

CAS
108-87-2
PubChem CID
7962
DTXSID
DTXSID0047749
ChEBI
CHEBI:165745
UNII
H5WXT3SV31
EC Number
203-624-3
Nikkaji
J5.083K

物性

構造計算による物性

XLogP
3.6
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
7
形式電荷
0
複雑度
42

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 件

log Kow = 3.61

4.17

OdorFaint, benzene-like odor.
Density · 6 件

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

0.7694 @ 20 °C/4 °C

Relative density (water = 1): 0.8

0.77

0.77 @ 20°C

0.77

Color/Form · 2 件

COLORLESS LIQUID

Colorless liquid.

Solubility · 6 件

Insoluble (NIOSH, 2024)

SOL IN ALCOHOL, ETHER, ACETONE, BENZENE

MISCIBLE WITH PETROLEUM ETHER, CARBON TETRACHLORIDE

14.0 mg/l at 20 °C /water/

water solubility = 14.0 mg/l @ 25 °C

Solubility in water: none

Flash Point · 6 件

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: Cyclohexane, methyl-

Cyclohexane, methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexane, 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)

REACH registered substance: Methylcyclohexane (EC: 203-624-3)

Cyclohexane, methyl-: HSNO Approval: HSR001198 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.)

DOT LabelFlammable Liquid
Fire Hazards · 3 件

Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback containing explosion may occur during fire conditions. Forms explosive mixtures in air. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Vapour/air mixtures are explosive.

Fire PotentialDANGEROUS /FIRE HAZARD/ WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS

化学と産業

薬理情報

Metabolism/Metabolites · 3 件

METABOLITES IN RABBITS WERE CARBON DIOXIDE, ORTHO & PARA GLUCURONIDE CONJUGATES. /FROM TABLE/

Rat liver microsomes fortified with NADPH were shown to hydroxylate methylcyclohexane. Microsomes prepared from rats pretreated with phenobarbital hydroxylated methylcyclohexane at a 4 to 5 fold greater rate than controls; phenobarbital pretreatment also caused a 4 to 5 fold increase in the "type 1" substrate binding difference spectrum. The hydroxylation reaction of methylcyclohexane was not linear, which was probably due to competitive inhibition by the reaction products since there was strong competition by the alcoholic products for the substrate binding site on cytochrome p-450.

The metabolism of methylcyclohexane was studied in rats. Male Fischer 344 rats were given 0 or 0.8 g/kg methylcyclohexane by oral gavage every other day for 2 wk. Urine samples were collected during the first 48 hr of dosing. They were analyzed as is for metabolites or treated with glucuronidase and sulfatase first. The rats were killed 24 hr after the last dose, the kidneys were removed, sliced, and examined for histopathological changes. Methylcyclohexane metabolites identified in urine after hydrolysis with glucuronidase and sulfatase were 2(t)-hydroxy-4(c)-methylcyclohexanol 2(c)-hydroxy-4(t)-methylcyclohexanol, trans-3-methylcyclohexanol, 2(c)-hydroxy-4(c)-methylcyclohexanol, trans-4-methylcyclohexanol, and cyclohexylmethanol. 2(t)-hydroxy-4(c)-methylcyclohexanol was found in the largest amount. No metabolites were detected in urine samples not treated with glucuronidase and sulfatase. Only slight histopathological evidence of nephrotoxicity was seen in the kidney slices. It was concluded that methylcyclohexane is metabolized primarily to dihydroxy metabolites in rats. The low nephrotoxicity of methylcyclohexane may be due to the lack of side chain branching on the ring structure.

Absorption, Distribution and Excretion · 4 件

METHYLCYCLOHEXANE IS ABSORBED BY INHALATION. A SMALL FRACTION IS EXHALED, ANOTHER FRACTION EXCRETED IN URINE UNCHANGED ... MOST THAT GETS INTO BLOOD IS METABOLIZED AND EXCRETED IN URINE AS CONJUGATES OF GLUCURONIC ACID OR SULFURIC ACID.

... NEITHER UNCHANGED COMPD NOR ANY OF ITS METABOLITES /WERE FOUND/ IN URINE OF DOG. ... ONLY 4-5% OF THE ADMINISTERED DOSE OF METHYLCYCLOHEXANE IN RABBITS WAS EXCRETED AS GLUCURONIDE CONJUGATES.

TROUT & FLAGFISH CONCENTRATED METHYLCYCLOHEXANE 150 FOLD AFTER SEVEN DAY EXPOSURE TO CONCN OF 0.83-1.85 MG/L.

関連反応

115 件
反応記録を作成
HRID 21358 の反応式
HRID 21358溶媒としてuspto-grants-1995_06
HRID 35692 の反応式
HRID 35692溶媒としてuspto-grants-1988_08
HRID 66338 の反応式
HRID 66338溶媒としてuspto-grants-1978_12
HRID 76243 の反応式
HRID 76243反応物としてuspto-grants-2014_09
HRID 99158 の反応式
HRID 99158反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 105577 の反応式
HRID 105577反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 108895 の反応式
HRID 108895反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 120602 の反応式
HRID 120602反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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化合物ノート

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ノートを作成反応を作成見積依頼を出す

25 °F (USCG, 1999)

-4 °C

25 °F (-4 °C)(Closed cup)

-6 °C o.c.

25 °F

25 °F

Boiling Point · 6 件

213.8 °F at 760 mmHg (USCG, 1999)

100.9 °C @ 760 MM HG

101 °C

214 °F

100.3 °C @760 [mm Hg]

214 °F

Melting Point · 6 件

-194.8 °F (USCG, 1999)

-126.6 °C

-126.7 °C

-196 °F

-126.4 °C

-196 °F

物理化学的性質

融点
-126 °C · -126 °C (lit.)
沸点
101 °C · 101 °C (lit.)
比重(密度)
0.77 g/mL · 0.77 g/mL at 25 °C (lit.)
蒸気密度
3.4 · 3.4 (vs air)
蒸気圧
37 mm · 37 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.422(lit.)
闪点
25 °F · 25 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
アセトン、ベンゼン、エーテル、四塩化炭素、エタノールと混和し、水に不溶。
外見
液体
色
無色
臭い (Odor)
Faint, petroleum-like
臭気閾値(Odor Threshold)
0.15 ppm · 0.15ppm
爆発限界(explosive limit)
1.1 · 1.1-6.7%(V)
水溶解度
0.1 g/L · 0.1g/L(20℃)
比熱容量
1.88 J/ · Cp(liquid): 1.88 J/(g·K), at 25℃
Merck
14 · 14,6047
BRN
505972 · 505972
Henry's Law Constant
0.0678 at · 0.0678 at 25.0 °C (Ramachandran et al., 1996)
Dielectric constant
2.1 · 2.1(25℃)
安定性
安定。非常に可燃性です。強力な酸化剤とは相容れない。
主な用途
環境
InChI
1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
SMILES
CC1CCCCC1
LogP
3.88 · 3.88
CAS データベース
108 · 108-87-2(CAS DataBase Reference)
NISTの化学物質情報
Cyclohexane, methyl-(108-87-2)
EPAの化学物質情報
Methylcyclohexane (108-87-2)

化学的性質

化学的特性Methylcyclohexane, an alkene, is a colorless liquid with a faint benzene-like odor. The odor threshold is 630 ppm (this is above the OEL).

Health Hazards · 2 件

Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract and skin. Narcotic effects and dermititis. (USCG, 1999)

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards SummarySlight histopathological changes in the kidney and liver seen in subchronically exposed experimental animals; TLV Basis is kidney damage; [ACGIH] A skin and eye irritant; Inhalation of high concentrations can cause CNS depression; [ICSC]
DOT ID and Guide · 2 件

2296 128

2296 128

Reactive GroupHydrocarbons, Aliphatic Saturated
EC ClassificationSymbol: F, Xn, N; R: 11-38-51/53-65-67; S: (2)-9-16-33-61-62
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Reactivity AlertsHighly Flammable
OSHA Standards · 2 件

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 500 ppm (1200 mg/cu m).

Vacated 1989 OSHA PEL TWA 400 ppm (1600 mg/cu m) is still enforced in some states.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Use powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Artificial respiration may be needed. 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. Rest. Refer for medical attention .

Accidental Release Measures · 2 件

· 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.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 件

Excerpt from NIOSH Pocket Guide for Methylcyclohexane:

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants.
Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

200.0 [ppm]

Fire Fighting Procedures · 2 件

FOAM, CARBON DIOXIDE, DRY CHEMICAL

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

Storage ConditionsStorage rooms should be bunded to prevent the spread of escaping liquid & electrical installations should be of flameproof type.
Cleanup Methods · 2 件

Absorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper.

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personal hazard. Use water spray to knock-down vapors.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal MethodsSpray into the furnace. Incineration will become easier by mixing with a more flammable solvent.
Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

毒性情報

Toxicological InformationRanking: 586 (total points: -1)
Target OrgansEyes, skin, respiratory system, central nervous system
Ecotoxicity ValuesLC50 Golden shiner 72.0 mg/l/96 hr (emulsion) /Conditions of bioassay not specified/
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5 件

Dizziness. Drowsiness.

Dry skin.

Redness.

Nausea. Further see Inhalation.

irritation eyes, skin, nose, throat; dizziness, drowsiness; In Animals: narcosis

Natural Pollution SourcesOccurs naturally in Russian and Galician petroleum ... .
Human Toxicity Excerpts · 5 件

VAPOR CAUSES BRIEF CENTRAL NERVOUS DEPRESSION LIKE CYCLOHEXANE. ... NO SYSTEMIC POISONINGS REPORTED ... .

Nervous system disturbances - /CNS depression/.

Lightheadedness, drowsiness; ... .

No toxic effects from industrial exposure nor any case of intoxication in humans by methylcyclohexane has been reported.

... IRRITANT & DEFATTING ACTION ON THE SKIN. /CYCLOPARAFFINS/

Artificial Pollution Sources... In cracked petroleums.
Environmental BiodegradationBiodegradation: 75% after 192 hr at 13 °C (initial concentration: 0.05 ug/l)
Non-Human Toxicity Excerpts · 5 件

INHALATION ... OF 7500 TO 10,000 PPM FOR TWO HOURS CAUSED PROSTRATION IN WHITE MICE, AND 10,000 TO 12,500 PPM WAS FATAL. ... ACUTE TOXICITY OF METHYLCYCLOHEXANE WAS GREATER THAN THAT OF HEPTANE, BUT LESS THAN THAT OF OCTANE. ... 1200 PPM /WAS REPORTED/ TO BE INNOCUOUS FOR RABBITS. PROLONGED EXPOSURE AT 370 PPM APPEARED TO BE HARMLESS TO MONKEYS.

NO EFFECTS RESULTED FROM REPEATED EXPOSURES OF RABBITS AT 1160 PPM FOR 10 WEEKS, AND ONLY SLIGHT KIDNEY AND LIVER INJURY WAS OBSERVED AT 3330 PPM.

ORAL DOSE IN RABBITS CAUSED MILD LETHARGY, SEVERE DIARRHEA AND CIRCULATORY COLLAPSE. VASCULAR & DEGENERATIVE LESIONS ARE SEEN IN KIDNEY & LIVER.

RABBITS EXPOSED TO 15,000 PPM ... DIED IN 70 MIN. EFFECTS OBSERVED PRECEDING DEATH WERE: CONJUNCTIVAL CONGESTION, SALIVATION, LABORED BREATHING ... ./SRP: CNS DEPRESSION/ CONVULSIONS.

For more Non-Human Toxicity Excerpts (Complete) data for METHYLCYCLOHEXANE (15 total), please visit the HSDB record page.

Probable Routes of Human Exposure · 3 件

Inhalation, ingestion, eye and skin contact.

No toxic effects from industrial exposure nor any case of intoxication in humans by methylcyclohexane has been reported.

The air in 7 shoe (4 shoe and 3 shoe upper) factories was measured for the concentration of solvents including methylcyclohexane at different work places throughout the plant. Methylcyclohexane was found in the air in both places. The threshold limit value was exceeded in the gluing work places of factories without ventilation systems and in all shoe upper factories.

法規制情報

Atmospheric Standards · 1 件

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Methylcyclohexane is produced, as an intermediate or a final product, by process units covered under this subpart.

安全データ

F
3-10
OEB
A
OEL
TWA: 400 ppm (1600 mg/m3)
wgk
2
IDLA
1,200 ppm [10% LEL]
tsca
TSCA listed
rtecs
GV6125000
ridadr
UN 2296
毒性
Acute oral LD50 for mice 2,250 mg/kg (quoted, RTECS, 1985).
hs_code
2902 19 00
risk_code
11-38-51/53-65-67
化審法
(3)-2230
安衛法
57,57-2
消防法
危険物第4類第一石油類(非水溶性)
hazard_code
F,Xn,N
safety_code
9-16-33-61-62
hazard_class
3
packing_group
II
自然発火温度
545 °F
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
108-87-2(Hazardous Substances Data)

... Adult chinchilla doe rabbits /were administered/ an oral dose of 2.1-2.4 mmol/kg (14)C methylcyclohexane. A total of 65% of the dose was excreted in the urine, 15% was eliminated in the expired air (10% as unchanged methylcyclohexane and 5% as carbon dioxide), 0.5% was excreted in the feces, and 4-5% remained in the animals 60 hr after dosing. A total of 42% of this dose was excreted as glucuronides and 2% as sulfate conjugates. The glucuronide of trans-4-methylcyclohexanol was the major urinary metabolite found, and represented approximately 15% of the dose. Five additional methylcyclohexanols were found in the urine as their respective glucuronide conjugates, each representing 0.5-11.5% of dose. No 1-methylcyclohexanol was found; however, a small amount (1.9%) appeared to have aromatized to benzoic acid and was excreted as hippuric acid.

用途と製造

Uses · 2 件

Used in organic synthesis, as a solvent for cellulose ethers, and in jet fuel. [ACGIH]

Used commercially as a solvent for cellulose derivatives particularly with othersolvents, and as an organic intermediate in organic synthesis. It is one of the components found in jet fuel.

U.S. Production · 3 件

2023: 4,000,000 - <5,500,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 G

(1975) PROBABLY GREATER THAN 4.5X10+5 G

Consumer UsesSolvent
Industry UsesFuel
Methods of Manufacturing · 3 件

CATALYTIC HYDROGENATION OF TOLUENE

PREPARED BY REACTION BETWEEN BENZENE & METHANE AT HIGH TEMPERATURES.

/Methylcyclohexane/ ... occurs in certain crude petroleum oils ... separated by distillation. ... Also prepared ... by acidic hydrocracking of polycyclic aromatics.

Formulations/PreparationsGRADES: TECHNICAL (95%), 99%, & RESEARCH.
Household ProductsInformation on 21 consumer products that contain Methyl cyclohexane in the following categories is provided:
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Cyclohexane, methyl-: ACTIVE

応用分野 · 7 件

解説メチルシクロヘキサンとは、無色あるいはほとんど無色の澄明な液体で、特異臭を有する有機化合物です。 消防法で「危険物第四類 第一石油類 危険等級Ⅱ」に指定されており、労働安全衛生法では「名称等を表示すべき危険物及び有害物」「名称等を通知すべき危険物及び有害物No. 576」「危険物・引火性の物」、危険物船舶運送及び貯蔵規則で「引火性液体類」といった指定がされています。航空法や海洋汚染防止法にも指定されています。

用途溶剤、有機合成、医薬原料、染料中間体原料

用途低毒性溶剤?非光化学反応性溶剤

使用Methylcyclohexane is an environmentally friendly coating, mainly used as solvent for ink, rubber, paint, varnish, oil and grease extraction solvent, chromatographic analysis standard substance, also can be used in organic synthesis and analytical reagents.

使用Methylcyclohexane is used as a solvent and reagent in organic synthesis and polymer chemistry. It is a component of jet fuel and also used as correction fluid in certain consumer products. It acts as a starting material for toluene synthesis

一般的な説明A clear colorless liquid with a petroleum-like odor. Flash point 25°F. Less dense than water and insoluble in water. Vapors heavier than air.

使用用途メチルシクロヘキサンは、重油から得られる留分の一種です。主に溶剤として使用されています。メチルシクロヘキサンは、医薬品や農薬製造用の溶媒のほか、修正液やジェット燃料として使用可能です。 自動車業界では、メチルシクロヘキサンは水素を使った燃料電池車 (FCV) における選択肢として期待され、実際に最近一躍有名になってきた物質です。 すなわち、水素を輸送・保管するために一旦メチルシクロヘキサンに変換することで、その体積を500分の1に圧縮した液体として保管できます。そのため、FCVにメチルシクロヘキサンが大きな役割を果たす可能性があります。実際に地球温暖化対策として、電気自動車 (EV) への移行が急速に高まっています。

調製方法 · 3 件

Methylcyclohexane is separated by distillation from crude petroleum oils, and also produced by hydrogenation of toluene, reaction of benzene with methane, or acidic hydrocracking of polycyclic aromatics.

合成方法ベンゼンの水素化の副反応により生成する

純化方法Passage through a column of activated silica gel gives material transparent down to 220nm. It can also be purified by passage through a column of activated basic alumina, or by azeotropic distillation with MeOH, followed by washing out the MeOH with H2O, drying and distilling. Methylcyclohexane can be dried with CaSO4, CaH2 or sodium. It has also been purified by shaking with a mixture of conc H2SO4 and HNO3 in the cold, washing with H2O, drying with CaSO4 and fractionally distilling it from potassium. Percolation through a Celite column impregnated with 2,4-dinitrophenylhydrazine (DNPH), phosphoric acid and H2O (prepared by grinding 0.5g DNPH with 6mL 85% H3PO4, then mixing with 4mL of distilled H2O and 10g of Celite) removes carbonyl-containing impurities. [Cowan et al. J Chem Soc 1865 1939, Beilstein 5 III 65, 5 IV 94.]

上流・下流製品情報

上流原料

Dehydrolyzing agent

下流製品

N-(4-ピリジル)ピバルアミドヘプタン(2,5-Dimethyl-1,3-oxazol-4-yl)methanolADStrans-1,4-シクロヘキサンジアミン2,5-Dimethyl-1,3-oxazole-4-carbaldehydeエタクリン酸5‐ブロモ‐2‐フルオロフェニル酢酸