Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-메톡시-4-메틸-2-펜탄온
4-메톡시-4-메틸-2-펜타논 · 4-메톡시-4-메틸펜타논-2 · 4-메톡시-4-메틸-2-펜탄온 · 2-Pentanone, 4-methoxy-4-methyl- · Pentoxone · me6k · pent-oxonesolvent · Pent-Oxone Solvent

식별자 및 물리적 특성
| CAS No. | 107-70-0 |
|---|---|
| 분자식 | C7H14O2 |
| 평균 분자량 | 130.18 g/mol |
| 단동위원소 질량 | 130.09937969 g/mol |
| SMILES | COC(C)(C)CC(C)=O |
| InChIKey | KOKPBCHLPVDQTK-UHFFFAOYSA-N |
| PubChem CID | 7884 |
| ChEMBL | CHEMBL3185318 |
| EC No. | 203-512-4 |
| DTXSID | DTXSID2025557 |
| 현지명 | 4-메톡시-4-메틸-2-펜탄온 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 105 |
| LogP(분배 계수) | 0.36 |
| 밀도 | Relative density (water = 1): 0.890,91 g/cm3 |
| Color/Form | WATER-WHITE LIQUID |
| 용해도 | 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 |
| 인화점 | 141 °F (NTP, 1992)61 °C60 °C c.c.48°C |
| 끓는 점 | 297 to 325 °F at 760 mmHg (NTP, 1992)147-163 °C160 °C156°C |
| 녹는점 | -30 °C |
| 증기 밀도 | Relative vapor density (air = 1): 4.49 |
| 후각 역치 | Odor Threshold Low: 25.0 [ppm][CAMEO] Odor threshold form CHEMINFO |
| 증기압 | 2.2 [mmHg]3.16 mm Hg at 25 °C.Vapor pressure, kPa at 25 °C: 0.42 |
| Physical Description | 4-methoxy-4-methylpentan-2-one appears as a clear colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used as a solvent.Colorless to white liquid[CHEMINFO] Oily liquid[MSDSonline]COLOURLESS LIQUID. |
| Kovats Retention Index | 877910 |
| 굴절률 | 1.4180 |
| 용해도 | 물에 용해됨 |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 헨리 상수 | 5.1×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3 |
| InChIKey | KOKPBCHLPVDQTK-UHFFFAOYSA-N |
| SMILES | COC(C)(C)CC(C)=O |
| EPA | 4-Methoxy-4-methyl-2-pentanone (107-70-0) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | WarningH226: 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) |
|---|---|
| 규제 정보 | 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 standardThe 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 | 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. |
용도
용도
Solvent for a variety of resin coatings.
일반 설명
A clear colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 140°F. Used as a solvent.