사이클로헥산올
사이클로헥산올 · 시클로헥사놀 · 시클로헥산올 · 히드랄린 · 헥사하이드로페놀 · 시클로헥실알코올 · 아드로날 · 헥살린
식별자 및 물리적 특성
| CAS No. | 108-93-0 |
|---|---|
| 분자식 | C6H12O |
| 평균 분자량 | 100.16 g/mol |
| 단동위원소 질량 | 100.088815 g/mol |
| SMILES | OC1CCCCC1 |
| InChIKey | HPXRVTGHNJAIIH-UHFFFAOYSA-N |
| PubChem CID | 7966 |
| ChEMBL | CHEMBL32010 |
| ChEBI | CHEBI:18099 |
| EC No. | 203-630-6 |
| DTXSID | DTXSID4021894 |
| 현지명 | 사이클로헥산올 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 46.1 |
| 물질 분류 | Flammable agents - 2nd degree |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Activity |
| 향료 | Fragrance Ingredient (Cyclohexanol) -> IFRA transparency List |
| 농약 | Insecticides |
| LogP(분배 계수) | log Kow = 1.231.36 |
| 냄새 | Camphor-like odor장뇌처럼. |
| 밀도 | 0.947 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9624 at 20 °C/4 °CPercent in "saturated" air: 0.33 (30 °C)density of "saturated" air: 1.01 (air = 1)Relative density (water = 1): 0.960.962 @ 20°C0.948 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 4.6 mPa.s (= cP) at 25 °C |
| Color/Form | Colorless needles or viscous liquidHygroscopic crystalsSticky solid or colorless to light-yellow liquid (above 77 degrees F) |
| 녹는점 | 20-22 °C (lit.) |
| 끓는 점 | 160-161 °C (lit.) |
| 증기 밀도 | 3.5 (vs air) |
| 증기압 | 0.98 mm Hg ( 25 °C) |
| 굴절률 | n20/D 1.465(lit.) |
| 인화점 | 67 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | 40g/L |
| 물리적 상태 | 녹은 후에 액체 |
| pKa(산도 계수) | 16 |
| 색상 | 무색의 |
| pH | 6.5 (40g/l, H2O, 20℃) |
| 향취 유형 | 녹나무 같은 |
| 폭발한계 | 2-11.2%(V) |
| 용해도 | 3.6g/100mL(20℃) |
| 비열 | Cp(liquid): 2.08 J/(g·K), at 25℃ |
| Merck | 14,2725 |
| BRN | 906744 |
| 헨리 상수 | 16.9 at 50.00 °C, 34.4 at 60.00 °C (headspace-GC, Hovorka et al., 2002) |
| 유전율 | 15.0(25℃) |
| 안정성 | 안정적인. 산화제와 호환되지 않습니다. 실온에서도 과산화수소, 질산 등의 산화제와 격렬하게 반응하여 폭발성 물질을 생성합니다. 흡습성. 타기 쉬운. |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 |
| InChIKey | HPXRVTGHNJAIIH-UHFFFAOYSA-N |
| SMILES | OC1CCCCC1 |
| LogP(분배 계수) | 1.25 at 25℃ |
| 표면장력 | 33.15mN/m at 293.15K |
| NIST | Cyclohexanol(108-93-0) |
| EPA | Cyclohexanol (108-93-0) |
화학적 성질
Cyclohexanol is a clear, colorless to pale yellow, viscous, hygroscopic liquid with a camphor-like odor. A detection odor threshold concentration of 64 μg/m3 (155 ppbv) was reported by Punter (1983). It has a fairly high flash point and boiling range. A solvent for cellulose ethers, ester gum,shellac, low viscosity silicones and polyvinyl chloride. lt has a fairly limited use in screen inks. lt is miscible with oils and hydrocarbon solvents.
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.2% (2 of 1012) of reports.H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: CyclohexanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol 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: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15181Cyclohexanol: HSNO Approval: HSR001397 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.) |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 운송 라벨(DOT) | Flammable Liquid Poison |
| 화재 위험 | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Combustible. Above 68 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | Flammable when exposed to heat or flame. |
| 건강 유해성 | Narcosis-depression of the central nervous system tending to produce sleep or unconsciousness. (USCG, 1999) |
| 유해성 요약 | Liquid or solid form causes first degree burns on short exposure[CHRIS] Skin absorption and narcosis seen in acute animal studies[ACGIH] A skin, eye, and respiratory tract irritantInhalation of high concentrations may cause CNS effects[ICSC] Causes liver and kidney injury in high-dose animal studies[HSDB] |
용도
용도
Cyclohexanol is used for the productionof adipic acid and caprolactam for makingnylon. Its phthalate derivatives are used forplasticizers. It is used as a stabilizer for soapsand detergents; as a solvent for lacquers,varnishes, and shellacs; and as a dye solventfor textiles.
일반 설명
Cyclohexanol appears as a colorless liquid with a camphor-like odor. Soluble in most organic liquids. Flash point 154 °F. May be toxic by inhalation or skin exposure. Vapors are narcotic in high concentrations. Irritates skin, eyes and mucus membranes. Used in making soap, lacquers, and plastics.
제조 및 합성 방법
생산 방법
Cyclohexanol is prepared by the catalytic air oxidation of cyclohexane or by the catalytic hydrogenation of phenol. The most important use of cyclohexanol is in producing adipic acid used in the manufacture of caprolactam. Cyclohexanol is used in the manufacture of esters for use as plasticizers; it is also used as a chemical intermediate, a stabilizer, a homogenizer for various soap and detergent emulsions, and as a solvent for lacquers and varnishes . The primary routes of occupational exposure are dermal and inhalation.