사이클로펜타데카논
사이클로펜타데카논 · 사이클로펜타데칸온 · EXALTONE · MUSK 15 · exalton · Normuscon · NORMUSCONE · CYCLOPENTADECONE
식별자 및 물리적 특성
| CAS No. | 502-72-7 |
|---|---|
| 분자식 | C15H28O |
| 평균 분자량 | 224.38 g/mol |
| 단동위원소 질량 | 224.21401552 g/mol |
| SMILES | O=C1CCCCCCCCCCCCCC1 |
| InChIKey | OSOIQJGOYGSIMF-UHFFFAOYSA-N |
| PubChem CID | 10409 |
| ChEMBL | CHEMBL3188770 |
| EC No. | 207-951-2 |
| DTXSID | DTXSID2047141 |
| 현지명 | 사이클로펜타데카논 |
화학 및 물리적 성질
| XLogP | 5.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 156 |
| SpringerMaterials Properties | Optical coefficient |
| 향료 | Fragrance Ingredient (Cyclopentadecanone) -> IFRA transparency List |
| Physical Description | Liquid |
| 녹는점 | 63-65 °C (lit.) |
| 끓는 점 | 120 °C/0.3 mmHg (lit.) |
| 밀도 | 0.897 g/mL at 25 °C (lit.) |
| 증기압 | 0.009Pa at 40℃ |
| 굴절률 | 1.4637 (estimate) |
| 인화점 | 120°C/0.3mm |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 알코올에 용해됨 |
| 물리적 상태 | powder to crystal |
| 색상 | 무색 크리스탈 바늘. |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 파우더리 머스크 동물 천연 기름기 |
| 향취 유형 | 사향 |
| 용해도 | 578μg/L at 20℃ |
| BRN | 1618444 |
| 화장품 원료 기능 | 탈취제향기 |
| InChI | 1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2 |
| InChIKey | OSOIQJGOYGSIMF-UHFFFAOYSA-N |
| SMILES | O=C1CCCCCCCCCCCCCC1 |
| LogP(분배 계수) | 5.6 at 20℃ |
| NIST | Cyclopentadecanone(502-72-7) |
| EPA | Cyclopentadecanone (502-72-7) |
화학적 성질
Cyclopentadecanone is a musk fragrance found in the scent gland of the male civet cat. A number of syntheses have been developed for its manufacture [260]. Among these, the so-called Story procedure is the only route that has the potential to make cyclopentadecanone available on a larger scale, but due to the handling of hydroperoxides, the process is difficult to manage. The process starts from tricyclohexylidene triperoxide, which is obtained by oxidation of cyclohexanone with hydrogen peroxide. Pyrolysis leads to a mixture of 1,16-hexadecanolide and cyclopentadecane. The latter is oxidized by oxygen under boric acid catalysis to cyclopentadecanol, which is subsequently oxidized to cyclopentadecanone. Due to the availability of long-chained aliphatic dicarboxylic acids by biotechnological processes, a Dieckmann condensation reaction may also possibly be a useful route to produce this macrocyclic ketone. Cyclopentadecanone is used in fine fragrances：
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 96.2% (1372 of 1426) of all reports.Not ClassifiedAggregated GHS information provided per 1426 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: CyclopentadecanoneCyclopentadecanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentadecanone 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: 08-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24075Cyclopentadecanone: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Exaltone and related macrocyclic musks |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GY0900000 |
| 관세 코드 | 29142900 |
| 안전 문구(S) | 22-24/25 |
| 기존화학 물질 | KE-09294 |
| 저장 분류 | 11 - Combustible Solids |
용도
출처
Reported to be found in the scent glands of the Louisiana muskrat Ondatra zibethicus rivalicius (Guenther, 1949).
용도
Cyclopentadecanone is the main odoriferous component of musk.
제조 및 합성 방법
제조 방법
By the cyclization of dinitriles in high dilution (Bedoukian. 1967).