Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
프럭톤
프럭톤 · APPLINAL · Ethyl acetoacetate ethylene acetal · Jasmaprunat · 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid ethyl ester · Ethylfruitat · ETHYL-2-METHYL-1,3-DIOXOLANE-2-ACETATE · ETHYLACETOACETATEETHYLENEGLYCOL-ACETAL
식별자 및 물리적 특성
| CAS No. | 6413-10-1 |
|---|---|
| 분자식 | C8H14O4 |
| 평균 분자량 | 174.19 g/mol |
| 단동위원소 질량 | 174.08920893 g/mol |
| SMILES | CCOC(=O)CC1(C)OCCO1 |
| InChIKey | XWEOGMYZFCHQNT-UHFFFAOYSA-N |
| PubChem CID | 80865 |
| EC No. | 229-114-0 |
| DTXSID | DTXSID3041241 |
| 현지명 | 프럭톤 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 44.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 160 |
| 향료 | Fragrance Ingredient (Ethyl 2-methyl-1,3-dioxolane-2-acetate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.083-1.091 (20 °C)1.0817 (rough estimate) |
| 용해도 | Very slightly soluble in waterSoluble (in ethanol) |
| 끓는 점 | 125-126 °C90 °C |
| 굴절률 | 1.428-1.4351.4310-1.4350 |
| Physical Description | Clear colourless liquidStrong fruity apple green sweet woody aroma |
| 증기압 | 1.08hPa at 20℃ |
| FEMA | 4477 | ETHYL ACETOACETATE ETHYLENEGLYCOL KETAL |
| 인화점 | 93.00°C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 냄새 | 100.00%에서. 달콤한 과일 사과 녹색 열대 자두 우디 |
| 향취 유형 | 과일 같은 |
| 생물학적 소스 | synthetic |
| 용해도 | 124.8g/L at 20℃ |
| JECFA Number | 1969 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3 |
| InChIKey | XWEOGMYZFCHQNT-UHFFFAOYSA-N |
| SMILES | O=C(OCC)CC1(C)OCCO1 |
| LogP(분배 계수) | 0.8 at 35℃ |
| NIST | Ethyl acetoacetate ethylene acetal(6413-10-1) |
| EPA | 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester (6413-10-1) |
화학적 성질
Ethyl (2-Methyl-[1,3]dioxolan-2-yl)-acetate is not found in nature. It is a colorless liquid, d2041.084–1.092, n20D 1.431–1.435, with a strong, fruity, apple-like, slightly green odor. It can be prepared by acetalization of ethyl acetoacetate with ethylene glycol.Very slightly soluble in water, soluble in alcohol and Propylene glycol, miscible with most perfume oils.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97.4% (1620 of 1663) of all reports.Not ClassifiedAggregated GHS information provided per 1663 reports by companies from 8 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl esterStatus: Active Update: 08-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/99981,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | WGK 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | JH6762500 |
| 관세 코드 | 2932.99.9090 |
| 위험 표시 | Xi |
| 기존화학 물질 | KE-23784 |
| 저장 분류 | 10 - Combustible liquids |