Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디하이드로쿠미닐아세테이트
디하이드로쿠미닐아세테이트 · FEMA 3561 · PERILLA ACETATE · Perillylacetate · l-perillyl acetate · (S)-PERILLYL ACETATE · Dihydro cuminyl acetate · p-Mentha-1,8-dien-7-ylacetate
식별자 및 물리적 특성
| CAS No. | 15111-96-3 |
|---|---|
| 분자식 | C12H18O2 |
| 평균 분자량 | 194.27 g/mol |
| 단동위원소 질량 | 194.13067982 g/mol |
| SMILES | C=C(C)C1CC=C(COC(C)=O)CC1 |
| InChIKey | WTXBCFKGCNWPLS-UHFFFAOYSA-N |
| PubChem CID | 61780 |
| EC No. | 239-162-4 |
| DTXSID | DTXSID4051740 |
| 현지명 | 디하이드로쿠미닐아세테이트 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 263 |
| 향료 | Fragrance Ingredient (p-Mentha-1,8-dien-7-yl acetate) -> IFRA transparency List |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.972-0.9800.9785 g/cm3 |
| 향미제 | EU Flavoring substances |
| 용해도 | very slightlyInsoluble in watersoluble in oilsMiscible at room temperature (in ethanol) |
| 끓는 점 | 218.00 to 223.00 °C. @ 760.00 mm Hg218-223 °C123-126 °C(Press: 13 Torr) |
| 굴절률 | 1.476-1.487 |
| Physical Description | Almost colourless or pale yellowish oily liquidWarm-herbaceous spicy odour |
| FEMA | 3561 | P-MENTHA-1,8-DIEN-7-YL ACETATE |
| 비중 | 0.985 |
| 냄새 | 100.00%에서. 과일향이 나는 말린 과일 페놀릭 그린 제라늄 우디 매콤한 허브 꽃무늬 |
| 향취 유형 | 과일 같은 |
| JECFA Number | 975 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 3.61 |
| EPA | 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate (15111-96-3) |
화학적 성질
Dihydrocuminyl acetate (p-Mentha-1,8-dien-7-yl-acetate) is an almost colorless or pale yellowish oily liquid. Practically insoluble in water, soluble in alcohol and oils. p-Mentha-1,8-dien-7-yl-acetate has a warm herbaceous spicy odor.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (116 of 116) of all reports.Not ClassifiedAggregated GHS information provided per 116 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetateCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| TSCA 등재 상태 | TSCA listed |
용도
출처
Reported present in tangerine, orange, bitter orange and lemon peel oils, bergamot oil and grapefruit juice.