Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸 2-사이클로헥실프로피온산
에틸2-사이클로헥실프로피온산 · 에틸사이클로헥실프로피오네이트 · POIRENATE · ethyl 2-cyclohexylpropanoate · ETHYL CYCLOHEXYL PROPIONATE · Ethyl 2-cyclohexyl propionate · α-methyl-Cyclohexaneacetic acid, ethyl ester · Cyclohexaneacetic acid, α-methyl-, ethyl ester
식별자 및 물리적 특성
| CAS No. | 2511-00-4 |
|---|---|
| 분자식 | C11H20O2 |
| 평균 분자량 | 184.27 g/mol |
| 단동위원소 질량 | 184.14632988 g/mol |
| SMILES | CCOC(=O)C(C)C1CCCCC1 |
| InChIKey | PZUDDXJZNSJESK-UHFFFAOYSA-N |
| PubChem CID | 160641 |
| EC No. | 412-280-5 |
| DTXSID | DTXSID90862977 |
| 현지명 | 에틸 2-사이클로헥실프로피온산 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 159 |
| 향료 | Fragrance Ingredient (Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester) -> IFRA transparency List |
| 끓는 점 | 100 °C(Press: 15 Torr) |
| 밀도 | 0.944±0.06 g/cm3(Predicted) |
| 증기압 | 21.9Pa at 25℃ |
| 냄새 | 100.00%에서. 과일 녹색 배 |
| 향취 유형 | 과일 같은 |
| 화장품 원료 기능 | 향기 |
| LogP(분배 계수) | 4.03 at 25℃ |
| 표면장력 | 64.9mN/m at 1.3g/L and 22℃ |
| EPA | Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester (2511-00-4) |
화학적 성질
Ethyl cyclohexane propionate is a colorless oily liquid. insoluble in water, soluble in alcohol and oils.
안전 및 규제
| GHS 분류 | H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.8% (11 of 1375) of reports.H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 1375 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Cyclohexaneacetic acid, .alpha.-methyl-, ethyl esterPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 17-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11281Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (99.2%)Aquatic Chronic 2 (100%)Hazardous to the aquatic environment (chronic) - category 2Aquatic Chronic 2 |
| TSCA 등재 상태 | TSCA listed |
| 독성 | rat,LC50,inhalation,> 5400mg/m3/4H (5400mg/m3),LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATIONBEHAVIORAL: FOOD INTAKE (ANIMAL),National Technical Information Service. Vol. OTS0573820, |
| 위험 문구(R) | 51/53 |
| 위험 표시 | N |
| 안전 문구(S) | 61 |
용도
용도
Ethyl cyclohexane propionate is suggested for use in perfumery, mainly in fragrances for household products, where power and low cost partly monitor the creation. lt finds some use in flavor compositions, mainly as a power factor in Pineapple imitations, and as a modifier for the conventional Allylcaproate and Allyl cyclohexane propionate. It is sweeter than both, but less typical of Pineapple.