아세틸시클로부탄
사이클로뷰틸메틸키톤 · 아세틸시클로부탄 · 사이클로뷰틸 메틸 키톤 · 시클로부틸메틸케톤 · 1-cyclobutylethan-1-one · 1-Cyclobutylethanone · ACETYLCYCLOBUTANE · CYCLOBUTYLETHANONE
식별자 및 물리적 특성
| CAS No. | 3019-25-8 |
|---|---|
| 분자식 | C6H10O |
| 평균 분자량 | 98.14 g/mol |
| 단동위원소 질량 | 98.07316494 g/mol |
| SMILES | CC(=O)C1CCC1 |
| InChIKey | JPJOOTWNILDNAW-UHFFFAOYSA-N |
| PubChem CID | 76398 |
| EC No. | 221-163-6 |
| DTXSID | DTXSID50184263 |
| 현지명 | 아세틸시클로부탄 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 82 |
| 끓는 점 | 137-139 °C/754 mmHg (lit.) |
| 밀도 | 0.902 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.432(lit.) |
| 인화점 | 84 °F |
| 저장 조건 | Flammables area |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| BRN | 1924022 |
| InChI | 1S/C6H10O/c1-5(7)6-3-2-4-6/h6H,2-4H2,1H3 |
| InChIKey | JPJOOTWNILDNAW-UHFFFAOYSA-N |
| SMILES | CC(=O)C1CCC1 |
화학적 성질
clear colorless to yellow-greenish liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1224 3/PG 3 |
| 관세 코드 | 29142900 |
| 위험 문구(R) | 10-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 16-29-33 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3 |
| 기존화학 물질 | KE-09131 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Cyclobutyl methyl ketone may be used as a model compound to study the oxidation mechanism of pinonic acid by hydroxyl radicals.
일반 설명
Cyclobutyl methyl ketone (CMK, methyl cyclobutyl ketone) is an alicyclic ketone. It has been synthesized by reacting cyclobutanecarbonyl chloride with magnesium salt of malonic ester. The mechanism of the photochemical reaction of gaseous mixtures of cyclobutyl methyl ketone diluted in argon has been studied by steady-state and pulsed (laser) photolysis. It′s infrared (3500 to 30cm-1) and Raman (3200 to 30cm-1) spectra in gaseous and solid state has been recorded. The UV spectra have been measured in alcohol and isooctane solution. Study on the vapour phase thermal and photodecomposition of methyl cyclobutyl ketone shows that the mode of decomposition is free radical in nature.