시스쟈스몬
시스쟈스몬 · 시스-자스몬 · CIS-JASMONE · (Z)-JASMONE · FEMA 3196 · cis-Jasmon · JASMONE · Aids032327
식별자 및 물리적 특성
| CAS No. | 488-10-8 |
|---|---|
| 분자식 | C11H16O |
| 평균 분자량 | 164.24 g/mol |
| 단동위원소 질량 | 164.12011513 g/mol |
| SMILES | CCC=CCC1=C(C)CCC1=O |
| InChIKey | XMLSXPIVAXONDL-UHFFFAOYSA-N |
| PubChem CID | 10261 |
| DTXSID | DTXSID50859404 |
| 현지명 | 시스쟈스몬 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 233 |
| 밀도 | 0.934-0.9500.94 g/mL at 25 °C(lit.) |
| 용해도 | slightly soluble in watersoluble in etherMiscible at room temperature (in ethanol) |
| 끓는 점 | 248 °C134-135 °C12 mm Hg(lit.) |
| 굴절률 | 1.489-1.501n20/D 1.498(lit.) |
| Physical Description | Pale yellowish to straw-coloured oily liquidodour of jasmine |
| 증기압 | 0.91Pa at 20℃ |
| FEMA | 3196 | 3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE |
| 인화점 | 225 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | Liquid |
| 색상 | Colorless to Light orange to Yellow |
| 냄새 | 디프로필렌 글리콜 중 10.00%.우디 허브 꽃 매콤한 자스민 셀러리 향 |
| 향취 유형 | 꽃향기 |
| 생물학적 소스 | synthetic |
| 용해도 | 1.48g/L at 20℃ |
| Merck | 14,5259 |
| JECFA Number | 1114 |
| BRN | 1907713 |
| 헨리 상수 | 5.2×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022) |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4- |
| InChIKey | IVLCENBZDYVJPA-ARJAWSKDSA-N |
| SMILES | [H]\C(CC)=C(/[H])CC1=C(C)CCC1=O |
| LogP(분배 계수) | 2.8 at 35℃ |
| NIST | 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-(488-10-8) |
| EPA | 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- (488-10-8) |
화학적 성질
Jasmone has a floral, fruity, jasmine odor. cis-Jasmone is widely used in the creation of high quality florals like jasmine and tuberose. Also used in the reconstitution of synthetic essential oils.
안전 및 규제
| 규제 정보 | 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GY7301000 |
| 독성 | rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979. |
| 관세 코드 | 29142990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 기존화학 물질 | KE-24774 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
| 유해 물질 데이터 | 488-10-8(Hazardous Substances Data) |
용도
개요
This has a jasmine odor.
출처
The cis-form is reportedly occurring naturally; it is found in the essential oils of jasmine (3%), jonquil, and Pittosporum glabratum, in neroli oil, in peppermint (Mentha piperita), and in bergamot, apricot, raspberry, cinnamon, corn mint and spearmint oils, beer, tea, soybean and heated beans.
용도
Traces, often mere fractions of one percent in a perfume oil may introduce just that wanted warmth and deep floral note almost unobtainable with other chemicals.Jasmone's flavor power is even greater. Concentrations of about 1 ppm have perceptible effect in many fruit flavors, while naturally, concentrations in Mint flavors are higher.