Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
시클로헥산카르복실산에틸에스테르
시클로헥산카르복실산에틸에스테르 · ETHYL CYCLOHEXANECARBOXYLATE · FEMA 3544 · RARECHEM AL BI 0002 · CARBETHOXYCYCLOHEXANE · Ethyl hexahydrobenzoate · cyclohexylethyl formate · ethoxycarbonylcyclohexane
식별자 및 물리적 특성
| CAS No. | 3289-28-9 |
|---|---|
| 분자식 | C9H16O2 |
| 평균 분자량 | 156.22 g/mol |
| 단동위원소 질량 | 156.11502975 g/mol |
| SMILES | CCOC(=O)C1CCCCC1 |
| InChIKey | JJOYCHKVKWDMEA-UHFFFAOYSA-N |
| PubChem CID | 18686 |
| ChEBI | CHEBI:88965 |
| EC No. | 221-945-7 |
| DTXSID | DTXSID7062958 |
| 현지명 | 시클로헥산카르복실산에틸에스테르 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| SpringerMaterials Properties | Dielectric constant |
| 향료 | Fragrance Ingredient (Ethyl cyclohexanecarboxylate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.966-0.978 (20 °C)0,936 g/cm3 |
| 향미제 | EU Flavoring substances |
| 용해도 | Insoluble in watersoluble in fatMiscible at room temperature (in ethanol) |
| 끓는 점 | 82.00 °C. @ 12.00 mm Hg82 °C (12 mm Hg)194-196°C |
| 굴절률 | 1.447-1.4541.4420 |
| Physical Description | Liquidcheese-like odour |
| 녹는점 | 120 °C |
| FEMA | 3544 | ETHYL CYCLOHEXANECARBOXYLATE |
| 인화점 | 194-196°C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 냄새 | 100.00%에서. 과일향, 치즈향, 와인향 |
| 향취 유형 | 치즈맛이 나는 |
| 용해도 | 물에 불용성. |
| JECFA Number | 963 |
| BRN | 2042698 |
| LogP(분배 계수) | 2.77 |
| NIST | Ethyl cyclohexanecarboxylate(3289-28-9) |
| EPA | Cyclohexanecarboxylic acid, ethyl ester (3289-28-9) |
화학적 성질
Ethyl cyclohexanecarboxylate has a cheese-like odor
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 98.9% (90 of 91) of all reports.Not ClassifiedAggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Cyclohexanecarboxylic acid, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexanecarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GU8490000 |
| 관세 코드 | 2916200090 |
| 안전 문구(S) | 23-24/25 |
용도
출처
Reported found in rum.
용도
Ethyl cyclohexanecarboxylate is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.