프로페닐-1,2-디메톡시벤젠
메틸 아이소유제놀 · 메틸아이소이게놀 · Isohomogenol · ISOEUGENYL METHYL ETHER · 1,2-DIMETHOXY-4-PROPENYLBENZENE · FEMA 2476 · isomethyleugenol · 4-prop-1-enylveratrole
식별자 및 물리적 특성
| CAS No. | 93-16-3 |
|---|---|
| 분자식 | C11H14O2 |
| 평균 분자량 | 178.23 g/mol |
| 단동위원소 질량 | 178.09937969 g/mol |
| SMILES | CC=Cc1ccc(OC)c(OC)c1 |
| InChIKey | NNWHUJCUHAELCL-UHFFFAOYSA-N |
| PubChem CID | 7128 |
| EC No. | 202-224-6 |
| DTXSID | DTXSID0052621 |
| 현지명 | 프로페닐-1,2-디메톡시벤젠 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 165 |
| 밀도 | 1.047-1.0531.05 g/mL at 25 °C(lit.) |
| 용해도 | Insoluble in glycerine and propylene glycolsoluble in most fixed oilssoluble (in ethanol)클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 끓는 점 | 262-264 °C262-264 °C(lit.) |
| 굴절률 | 1.566-1.569n20/D 1.568(lit.) |
| Physical Description | colourless to pale yellow liquiddelicate, clove-carnation aroma |
| 녹는점 | 98-100 °C(lit.) |
| FEMA | 2476 | ISOEUGENYL METHYL ETHER |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 냄새 | 100.00%에서. 매운 정향 꽃 카네이션 우디 |
| 향취 유형 | 매운 |
| 생물학적 소스 | synthetic |
| JECFA Number | 1266 |
| 유전율 | 4.7000000000000002 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+ |
| InChIKey | NNWHUJCUHAELCL-SNAWJCMRSA-N |
| SMILES | COc1ccc(\C=C\C)cc1OC |
| LogP(분배 계수) | 3.05 |
| NIST | Benzene, 1,2-dimethoxy-4-(1-propenyl)-(93-16-3) |
| EPA | Benzene, 1,2-dimethoxy-4-(1-propenyl)- (93-16-3) |
화학적 성질
light yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 95.5% (1634 of 1711) of all reports.Not ClassifiedAggregated GHS information provided per 1711 reports by companies from 6 notifications to the ECHA C&L Inventory.WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Benzene, 1,2-dimethoxy-4-(1-propenyl)-Regulation (EC) No 1831/2003 (amended)Benzene, 1,2-dimethoxy-4-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Isoeugenol ethers: Human health tier II assessment |
| Hazard Classes and Categories | Not ClassifiedCarcinogenicity - category 2 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CZ7000000 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29093090 |
| 위험 문구(R) | 20/22-36/37/38-42 |
| 안전 문구(S) | 22-26-36/37-45 |
| 기존화학 물질 | KE-11097 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
Isoeugenyl methyl ether has a delicate, clove-carnation odor and a burning bitter taste. May be prepared by methylation of isoeugenol with methyl sulfate in alkaline solution.
출처
The natural and the commercial products are a mixture of cis- and trans-isomers; originally isolated in the oil roots of Asarum arifolium Michx.; in the oil of Cymbopogon javanensis, Orthodon methylisoeugenoliferum F. (approx. 53%) and others. Reported found in orange peel oil, ginger, calamus, dried bonito and mastic gum leaf and fruit oil.
용도
Methyl isoeugenol can be used as a natural food flavor in food industries.
일반 설명
Methyl isoeugenol is one of the main components found in the essential oil extracted from Acorus calamus, bark of Croton malambo and rhizomes of Zingiber zerumbet, Hedychium coronarium and Etlingera cevuga.
제조 및 합성 방법
제조 방법
By methylation of isoeugenol with methyl sulfate in alkaline solution