Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-Methyl-5-hexen-2-one
5-Hexen-2-one, 5-methyl- · 5-methylhex-5-en-2-one · FEMA 3365 · 5-methyl-5-hexen-2-on · 5-Methyl-5-hexen-2-one · 2-METHYL-1-HEXENE-5-ONE
식별자 및 물리적 특성
| CAS No. | 3240-09-3 |
|---|---|
| 분자식 | C7H12O |
| 평균 분자량 | 112.17 g/mol |
| 단동위원소 질량 | 112.088815 g/mol |
| SMILES | C=C(C)CCC(C)=O |
| InChIKey | VBCIOOKAKHGVMI-UHFFFAOYSA-N |
| PubChem CID | 228604 |
| ChEBI | CHEBI:195656 |
| EC No. | 221-807-6 |
| DTXSID | DTXSID5062928 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 103 |
| SpringerMaterials Properties | Optical coefficient |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.862-0.8680.865 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | insoluble in watersoluble in fatsMiscible at room temperature (in ethanol) |
| 끓는 점 | 148-149 °C148-149 °C (lit.) |
| 굴절률 | 1.428-1.433n20/D 1.431(lit.) |
| Physical Description | Colourless to pale yellow liquidstrong fatty, green citrus-like odour |
| FEMA | 3365 | 5-METHYL-5-HEXEN-2-ONE |
| 인화점 | 108 °F |
| 저장 조건 | 2-8°C, stored under nitrogen |
| 물리적 상태 | liquid |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 녹색 잡초가 많은 잎 채소 |
| 향취 유형 | 지방이 많은 |
| JECFA Number | 1119 |
| InChI | 1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3 |
| InChIKey | VBCIOOKAKHGVMI-UHFFFAOYSA-N |
| SMILES | CC(=C)CCC(C)=O |
| LogP(분배 계수) | 1.57 |
| EPA | 5-Hexen-2-one, 5-methyl- (3240-09-3) |
안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 5-Hexen-2-one, 5-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)5-Hexen-2-one, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1224 3/PG 3 |
| 위험 문구(R) | 10-22-41 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-39 |
| 포장분류 | III |
| 위험 등급 | 3.2Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3 |
| 기존화학 물질 | KE-24266 |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
Synthesized from methallyl alcohol, the corresponding methallyl alcohol, acetoacetone is prepared, dissolved in diphenyl ether, and finally heated to 200 - 215°C.
제조 및 합성 방법
제조 방법
From methallyl alcohol, the corresponding methallyl alcohol, acetoacetone is prepared, dissolved in diphenyl ether, and finally heated to between 200 and 215°C