헥실신나믹알데히드
쟈스모날 · 헥실신나믹알데히드 · 헥실신나몰 · 헥실 신나믹 알데히드 · 헥실신남알 · HCA · HEXYL CINNAMIC ALDEHYDE · HEXYL CINNAMAL
식별자 및 물리적 특성
| CAS No. | 101-86-0 |
|---|---|
| 분자식 | C15H20O |
| 평균 분자량 | 216.32 g/mol |
| 단동위원소 질량 | 216.15141526 g/mol |
| SMILES | CCCCCCC(C=O)=Cc1ccccc1 |
| InChIKey | GUUHFMWKWLOQMM-UHFFFAOYSA-N |
| PubChem CID | 7585 |
| ChEMBL | CHEMBL3183766 |
| DTXSID | DTXSID4026684 |
| 현지명 | 헥실신나믹알데히드 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 211 |
| 향료 | Fragrance |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 174-176 °C/15 mmHg (lit.) |
| 밀도 | 0.95 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.55(lit.) |
| FEMA | 2569 | ALPHA-HEXYLCINNAMALDEHYDE |
| 인화점 | 200 °F |
| 저장 조건 | -20°C |
| 용해도 | 물: 25°C에서 용해성0.005g/L |
| 물리적 상태 | 기름 |
| 색상 | 맑은 노란색 |
| 냄새 | 100.00%에서. 신선한 꽃무늬 그린 자스민 허브 왁스 |
| 향취 유형 | 꽃향기 |
| 생물학적 소스 | synthetic |
| JECFA Number | 686 |
| 헨리 상수 | 1.0×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022) |
| 안정성 | 흡습성 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+ |
| InChIKey | GUUHFMWKWLOQMM-NTCAYCPXSA-N |
| SMILES | [H]C(=O)\C(CCCCCC)=C\c1ccccc1 |
| LogP(분배 계수) | 5.33 |
| NIST | Octanal, 2-(phenylmethylene)-(101-86-0) |
| EPA | .alpha.-Hexylcinnamaldehyde (101-86-0) |
화학적 성질
alpha-Hexylcinnamaldehyde is a yellow liquid with a mild, slightly fatty, floral, somewhat herbal odor, and a distinct jasmine note. Similarly to the -amyl homolog, -hexylcinnamaldehydemust be protected against oxidation by the addition of stabilizers. It is prepared in a manner similar to that of -amylcinnamaldehyde by alkaline condensation of excess benzaldehyde with octanal (instead of heptanal). -Hexylcinnamaldehyde is widely used in flower compositions (e.g., jasmine and gardenia) and, because of its stability to alkali, in soap perfumes.
안전 및 규제
| 수질 위해 등급(WGK) | 2 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GD6560000 |
| 운송 번호(UN) | UN 3265 8/PG 3 |
| 독성 | The acute oral LD50 value in rats was reported as 3.1 g/kg (2.45-3.75 g/kg) (Moreno, 1971). The acute dermal LD50 value in rabbits was reported as > 3 g/kg (Moreno, 1971). |
| 관세 코드 | 29122990 |
| 위험 문구(R) | 36/37/38-34-43-52/53 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-36/37/39-45-36-36/37-61 |
| 기존화학 물질 | KE-28401 |
| 위험 등급 | Aquatic Acute 1Aquatic Chronic 2Skin Sens. 1 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
α-Hexylcinnamaldehyde has a jasmine-like odor, particularly on dilution. May be synthesized by condensation of octylaldehyde with benzaldehyde.
출처
Reported found in cooked, scented rice.
용도
α-Hexylcinnamaldehyde is characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products. It has been also used as flavouring additive in food and pharmaceutical industry.
일반 설명
Solubilization of α-hexylcinnamaldehyde by the ionic surfactants, sodium dodecyl sulfate and dodecyltrimethylammonium chloride and a non-ionic surfactant such as dodecyl polyoxyethylene ethers has been investigated.
제조 및 합성 방법
제조 방법
By condensation of octylaldehyde with benzaldehyde