에틸스테아레이트
에틸스테아레이트 · ETHYL OCTADECANOATE · FEMA 3490 · STEARIC ACID ETHYL ESTER · OCTADECANOIC ACID ETHYL ESTER · thyl stearate · Stearic acid ethyl · KAK-ES
식별자 및 물리적 특성
| CAS No. | 111-61-5 |
|---|---|
| 분자식 | C20H40O2 |
| 평균 분자량 | 312.5 g/mol |
| 단동위원소 질량 | 312.30283052 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC |
| InChIKey | MVLVMROFTAUDAG-UHFFFAOYSA-N |
| PubChem CID | 8122 |
| ChEBI | CHEBI:84936 |
| EC No. | 203-887-4 |
| DTXSID | DTXSID5059406 |
| 현지명 | 에틸스테아레이트 |
화학 및 물리적 성질
| XLogP | 8.9 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 18 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 226 |
| 지질 | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| 화장품 | Emollient |
| 향료 | Fragrance Ingredient (Ethyl octadecanoate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.880-0.9001.057 |
| 향미제 | EU Flavoring substances |
| 용해도 | Soluble in ethanol and oils, insoluble in water(in ethanol)클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 끓는 점 | 213.00 to 215.00 °C. @ 15.00 mm Hg105 °C at 11mm Hg213-215 °C15 mm Hg(lit.) |
| 녹는점 | 33.4 °C34-38 °C(lit.) |
| 굴절률 | 1.420-1.4401.4349 |
| Physical Description | SolidColourless, odourless mass |
| FEMA | 3490 | ETHYL OCTADECANOATE |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 결정질 덩어리 |
| 색상 | 하얀색 |
| 냄새 | 100.00%에서. 약한 밀랍 같은 |
| 향취 유형 | 밀랍같은 |
| 생물학적 소스 | synthetic |
| JECFA Number | 40 |
| BRN | 1788183 |
| 유전율 | 3.0(40℃) |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 피부 컨디셔닝 - 보습제향수 |
| InChI | 1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3 |
| InChIKey | MVLVMROFTAUDAG-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC |
| LogP(분배 계수) | 9.21 |
| EPA | Ethyl stearate (111-61-5) |
화학적 성질
white crystalline mass
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.WarningH315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 138 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Octadecanoic acid, ethyl esterOctadecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Skin Irrit. 2 (99.3%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | WI3600000 |
| 관세 코드 | 2915 70 50 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-14057 |
| 저장 분류 | 11 - Combustible Solids |
용도
출처
Reported found in Jamaican rum, maple syrup, grapefruit juice, guava, grapes, cognac, rum, whiskey, sparkling wine, mustard, beef, cocoa and corn oil.
용도
A fatty acid ester component of volatile oil from Rhododendron anthopogonoides; shows antimicrobial activity.Ethyl stearate is occasionally used in flavor compositions where a waxy taste (or mouthfeel) is desirable, e.g. in imitation Honey or in certain types of chocolate flavor.
일반 설명
Ethyl stearate is a fatty acid ethyl ester (FAEE) is commonly found in vegetable oils.
제조 및 합성 방법
제조 방법
By esterification of ethanol with stearic acid.
생산 방법
Ethyl stearate can be produced by esterification of Ethanol with Stearic acid. The acid is obtained from Oleic acid by hydrogenation, a method which yields comparatively pure Stearic acid, free from Palmitic acid.