파네솔
파네솔 · 파르네솔 · 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- · 3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL · FEMA 2478 · Polyprenol · Farnesol 95% · Farnesyl alcohol
식별자 및 물리적 특성
| CAS No. | 4602-84-0 |
|---|---|
| 분자식 | C15H26O |
| 평균 분자량 | 222.37 g/mol |
| 단동위원소 질량 | 222.19836545 g/mol |
| SMILES | CC(C)=CCCC(C)=CCCC(C)=CCO |
| InChIKey | CRDAMVZIKSXKFV-UHFFFAOYSA-N |
| PubChem CID | 3327 |
| ChEMBL | CHEMBL4464165 |
| DTXSID | DTXSID3032389 |
| 현지명 | 파네솔 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 265 |
| 녹는점 | 25°C |
| 끓는 점 | 149 °C4 mm Hg(lit.) |
| 밀도 | 0.886 g/mL at 20 °C(lit.) |
| 증기압 | 13Pa at 20℃ |
| FEMA | 2478 | FARNESOL |
| 굴절률 | n20/D 1.490(lit.) |
| 인화점 | 205 °F |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO:100.0(Max Conc. mg/mL)449.7(Max Conc. mM) |
| pKa(산도 계수) | 14.69±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~엷은 노란색 |
| 냄새 | 100.00%에서. 온화한 신선하고 달콤한 린든 꽃 안젤리카 |
| 향취 유형 | 꽃향기 |
| 생물학적 소스 | synthetic |
| 용해도 | 물에 섞이거나 혼합하기 어렵지 않습니다. |
| Merck | 14,3937 |
| JECFA Number | 1230 |
| BRN | 1763926 |
| 헨리 상수 | 3.9×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수탈취제 |
| InChI | 1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ |
| InChIKey | CRDAMVZIKSXKFV-YFVJMOTDSA-N |
| SMILES | C/C(CC/C=C(C)/CCC=C(C)C)=C\CO |
| LogP(분배 계수) | 4.72 at 22.3℃ |
| NIST | 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-(4602-84-0) |
| EPA | Farnesol (4602-84-0) |
화학적 성질
Farnesol is a component of many blossom oils. It is a colorless liquid with a linden blossom odor, which becomes more intense when evaporated. Of the four possible isomers (due to the double bonds in the 2- and 6-positions), the (2E,6E)-isomer is the most common in nature and occurs, forexample, in ambrette seed oil.(2Z,6E)-Farnesol [3790-71-4] has been identified in petitgrain oil bigarade. Synthetic farnesol is a mixture of isomers obtained by isomerization of nerolidol. Farnesol is particularly suited for use in flower compositions and is valued for its fixative and deodorizing properties.
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | JR4979000 |
| 운송 번호(UN) | UN 3082 9 / PGIII |
| 관세 코드 | 29052200 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-22 |
| 위험 등급 | 9Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1 |
| 기존화학 물질 | KE-34511 |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
| 유해 물질 데이터 | 4602-84-0(Hazardous Substances Data) |
용도
개요
Farnesol has a characteristic flowery odor.
출처
The presence of this terpene alcohol in nature has been reported in more than 30 essential oils; the levels are generally low (0.5 to 1.0%) with the exception of cabreuva, which contains up to 2 5% farensol, and the distillate from fowers of Oxystigma buccholtzii Harms which contains up to 18% farnesol Among the essential oils containing farnesol are lemongrass, Ceylon citronella, cananga, ambrette seeds, ylang-ylang, Acacia farnesiana, Peru balsam, palmarosa, tuberose, and others Reported found in apricot, citrus peel oils, grapefruit juice, strawberry jam, ginger, clove bud, hop oil, cardamom, ginger, thyme, beer, whiskey, basil, papaya, anise seed, German chamomile and Cympogon citratus oils
용도
farnesol is described as a substance of high biological potential, capable of acting in the skin as a true bioactivator. A biological precursor and fatty alcohol, farnesol is one component of vitamin K. It is said to help smooth wrinkles, normalize sebum secretion, and increase the skin’s elasticity, tissue tension, and moisture-binding capability. It is able to penetrate the epidermis. In humans, farnesol is found in the skin and is involved in sterol biosynthesis. It is also used for its deodorant, odor-masking, and skin-soothing properties. In clinical studies, farnesol has demonstrated anti-microbial activity, though it is unclear if this remains the case once incorporated into a cosmetic formulation. It is widely present in vegetables and found in many essential oils (for example, acacia, lilac, lily of the valley, rose, orange blossom, oak moss, and sandalwood).
일반 설명
Colorless liquid with a delicate floral odor.
제조 및 합성 방법
제조 방법
One method uses cabreuva as the starting material (Swiss Patent 261,120-Givaudan and Co ), while a second method starts from ambrette seeds (German Patent 149, 603-Haarmann and Reimer).