Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
ACETALDEHYDEETHYLCIS-3-헥세닐아세탈
ACETALDEHYDEETHYLCIS-3-헥세닐아세탈 · FEMA 3775 · LEAF ACETAL · (Z)-leaf acetal · EINECS 248-817-3 · LEAF ALCOHOL ACETAL · CIS-3-HEXENAL ACETAL · (Z)-3-HexeneAcetaldehyde
식별자 및 물리적 특성
| CAS No. | 28069-74-1 |
|---|---|
| 분자식 | C10H20O2 |
| 평균 분자량 | 172.26 g/mol |
| 단동위원소 질량 | 172.14632988 g/mol |
| SMILES | CC/C=C\CCOC(C)OCC |
| InChIKey | PAEBAEDUARAOSG-SREVYHEPSA-N |
| PubChem CID | 5366352 |
| ChEMBL | CHEMBL3185276 |
| EC No. | 248-817-3 |
| DTXSID | DTXSID4047418 |
| 현지명 | ACETALDEHYDEETHYLCIS-3-헥세닐아세탈 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 110 |
| 향료 | Fragrance Ingredient (Acetaldehyde ethyl cis-3-hexenyl acetal) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.846-0.8560,86 g/cm3 |
| 향미제 | EU Flavoring substances |
| 용해도 | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol) |
| 끓는 점 | 85 °C (7 mm Hg)198℃ |
| 굴절률 | 1.430-1.435n20/D1.422 |
| Physical Description | colourless mobile liquid with a powerful, green, herbaceous odour |
| FEMA | 3775 | ACETALDEHYDE ETHYL CIS-3-HEXENYL ACETAL |
| 인화점 | 45℃ |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색의 액체 |
| 비중 | 0.855 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 녹색 보라색 천연 녹색 잎 버섯 소박 |
| 향취 유형 | 녹색 |
| JECFA Number | 943 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 3.01 |
| EPA | 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)- (28069-74-1) |
화학적 성질
A colorless liquid with a powerful, green, herbaceous odor. Fairly stable in alkali, unstable in acid of pH lower than 5.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 71.2% (158 of 222) of all reports.WarningH226 (28.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (28.8%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MP6795000 |
| 운송 번호(UN) | UN 1993C 3 / PGIII |
| 독성 | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974). |
| 관세 코드 | 2912.19.5000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
용도
출처
Reported found in guava fruit (Psidium guajava L.) and plum
제조 및 합성 방법
제조 방법
From acetaldehyde diethyl acetal (acetal) with cis-3-hexenol