메틸사이클로헥산
헥사히드로톨루엔 · 메틸사이클로헥산 · 메틸시클로헥산 · 시클로헥실메탄 · 톨루엔헥사수소화물 · Sextone B · Cyclohexane,methyl- · sextoneb
식별자 및 물리적 특성
| CAS No. | 108-87-2 |
|---|---|
| 분자식 | C7H14 |
| 평균 분자량 | 98.19 g/mol |
| 단동위원소 질량 | 98.10955045 g/mol |
| SMILES | CC1CCCCC1 |
| InChIKey | UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| PubChem CID | 7962 |
| ChEBI | CHEBI:165745 |
| EC No. | 203-624-3 |
| DTXSID | DTXSID0047749 |
| 현지명 | 메틸사이클로헥산 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 42 |
| 물질 분류 | Flammable agents - 3rd degree |
| 지질 | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | log Kow = 3.61 |
| 냄새 | Faint, benzene-like odor.Faint, petroleum-like |
| 밀도 | 0.77 (USCG, 1999) - Less dense than waterwill float0.7694 @ 20 °C/4 °CRelative density (water = 1): 0.80.77 @ 20°C0.77 g/mL at 25 °C (lit.) |
| Color/Form | COLORLESS LIQUIDColorless liquid. |
| 용해도 | Insoluble (NIOSH, 2024)SOL IN ALCOHOL, ETHER, ACETONE, BENZENEMISCIBLE WITH PETROLEUM ETHER, CARBON TETRACHLORIDE14.0 mg/l at 20 °C /water/water solubility = 14.0 mg/l @ 25 °CSolubility in water: none아세톤, 벤젠, 에테르, 사염화탄소, 에탄올과 혼합 가능하며 물에 불용성입니다. |
| 인화점 | 25 °F (USCG, 1999)-4 °C25 °F (-4 °C)(Closed cup)-6 °C o.c. |
| 끓는 점 | 213.8 °F at 760 mmHg (USCG, 1999)100.9 °C @ 760 MM HG101 °C214 °F100.3 °C @760 [mm Hg]101 °C (lit.) |
| 녹는점 | -194.8 °F (USCG, 1999)-126.6 °C-126.7 °C-196 °F-126.4 °C-126 °C (lit.) |
| 증기 밀도 | 3.4 (vs air) |
| 증기압 | 37 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.422(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 후각 역치 | 0.15ppm |
| 폭발한계 | 1.1-6.7%(V) |
| 용해도 | 0.1g/L(20℃) |
| 비열 | Cp(liquid): 1.88 J/(g·K), at 25℃ |
| Merck | 14,6047 |
| BRN | 505972 |
| 헨리 상수 | 0.0678 at 25.0 °C (Ramachandran et al., 1996) |
| 유전율 | 2.1(25℃) |
| 안정성 | 안정적인. 가연성이 매우 높습니다. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 환경 |
| InChI | 1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| SMILES | CC1CCCCC1 |
| LogP(분배 계수) | 3.88 |
| NIST | Cyclohexane, methyl-(108-87-2) |
| EPA | Methylcyclohexane (108-87-2) |
화학적 성질
Methylcyclohexane, an alkene, is a colorless liquid with a faint benzene-like odor. The odor threshold is 630 ppm (this is above the OEL).
안전 및 규제
| GHS 분류 | DangerH225: 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)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | 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)Status: Active Update: 16-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15991Cyclohexane, methyl-: HSNO Approval: HSR001198 Approved with controlsThe 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | 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. |
| 화재 가능성 | DANGEROUS /FIRE HAZARD/ WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS |
| 건강 유해성 | 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. |
| 유해성 요약 | Slight histopathological changes in the kidney and liver seen in subchronically exposed experimental animalsTLV Basis is kidney damage[ACGIH] A skin and eye irritantInhalation of high concentrations can cause CNS depression[ICSC] |
용도
용도
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.
용도
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
일반 설명
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.
제조 및 합성 방법
생산 방법
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.