2,4-헥사디엔알
2,4-헥사디엔알 · 소르빈산알데히드 · 2,4-헥사다이엔알 · 2,4-HEXADIENAL · (2E,4E)-Hexa-2,4-dienal · TRANS,TRANS-2,4-HEXADIENAL · FEMA 3429 · SORBIC ALDEHYDE
식별자 및 물리적 특성
| CAS No. | 142-83-6 |
|---|---|
| 분자식 | C6H8O |
| 평균 분자량 | 96.13 g/mol |
| 단동위원소 질량 | 96.05751488 g/mol |
| SMILES | CC=CC=CC=O |
| InChIKey | BATOPAZDIZEVQF-UHFFFAOYSA-N |
| PubChem CID | 8901 |
| EC No. | 205-564-3 |
| DTXSID | DTXSID20859279 |
| 현지명 | 2,4-헥사디엔알 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 90.4 |
| 녹는점 | -16.5°C |
| 끓는 점 | 69 °C/20 mmHg (lit.) |
| 밀도 | 0.895 g/mL at 20 °C 0.871 g/mL at 25 °C (lit.) |
| 증기 밀도 | >1 (vs air) |
| 굴절률 | n20/D 1.541(lit.) |
| FEMA | 3429 | TRANS,TRANS-2,4-HEXADIENAL |
| 인화점 | 154 °F |
| 저장 조건 | 2-8°C |
| 용해도 | Almost insoluble in water, soluble in alcohol and oils. |
| 물리적 상태 | liquid |
| 색상 | Colorless |
| 비중 | 0.871 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 달콤한 녹색 매운 꽃 감귤류 |
| 향취 유형 | 녹색 |
| 생물학적 소스 | synthetic |
| 용해도 | 물에는 녹지 않으나 에탄올에는 녹는다. |
| JECFA Number | 1175 |
| BRN | 1698401 |
| 헨리 상수 | 1.0×100 mol/(m3Pa) at 25℃, Buttery et al. (1971) |
| 안정성 | 안정적인. 타기 쉬운. 강한 환원제, 강염기, 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+ |
| InChIKey | BATOPAZDIZEVQF-MQQKCMAXSA-N |
| SMILES | [H]C(=O)\C=C\C=C\C |
| LogP(분배 계수) | 1.06 |
| NIST | 2,4-Hexadienal, (E,E)-(142-83-6) |
| EPA | 2,4-Hexadienal, (2E,4E)- (142-83-6) |
화학적 성질
liquid
안전 및 규제
| GHS 분류 | DangerH226 (97.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1697 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (97.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | WG1925000 |
| 운송 번호(UN) | UN 2922 8/PG 3 |
| 관세 코드 | 29121900 |
| 위험 문구(R) | 22-24-34-43-36/37/38-20/21/22 |
| 위험 표시 | T,Xi,Xn |
| 안전 문구(S) | 26-36/37/39-45-36 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1 |
| F 고인화성물질 | 1-10 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 유해 물질 데이터 | 142-83-6(Hazardous Substances Data) |
용도
개요
trans, frans-2,4-Hexadienal has a fresh, green, floral citrus odor. May be synthesized by slowly heating croton-aldehyde with acetaldehyde in the presence of pyridine at 85 - 90°C.
출처
Reported found in olive, roasted peanuts, tomato, caviar, fish, auto-oxidized salmon oil, tea, apricot, strawberry, wheaten bread, Russian cheeses, cooked chicken and beef, boiled mutton, hop oil, raw and roasted peanuts, soybean, olive, rice, buckwheat, malt, kiwifruit and scallops.
용도
2,4-Hexadienal, is used in the synthesis of chiral cycloadducts. 2,4-Hexadienal is used as a flavouring agent, as a chemical intermediate in various organic synthetic reactions and as a raw material in the manufacture of sorbic acid. It is also used as in the manufacture of polymethine dyes, as a pharmaceutical intermediate in the manufacture of mitomycins and antihypercholesteraemics, as an inhibitor of corrosion for steel used in oil field operations, as a monomer in reactions with silane comonomers for the manufacture of polyalkenyloxysilane polymer and as a fumigant against larvae of the Caribbean fruit fly.
일반 설명
trans,trans-2,4-Hexadienal is a volatile is a flavor compound that is reported to occur in different types of tea.
제조 및 합성 방법
제조 방법
Can be obtained by slowly heating crotonaldehyde with acetaldehyde in the presence of pyridine at 85 to 90°C.