2,4-Decadienal
2,4-DECADIENAL · DDA · FEMA 3135 · TRANS-2, TRANS-4-DECADIENAL · DECA-2,4-DIENAL · 2,4-DECADIEN-1-AL · 4-DECADIENAL · DECADIENAL 2,4
식별자 및 물리적 특성
| CAS No. | 2363-88-4 |
|---|---|
| 분자식 | C10H16O |
| 평균 분자량 | 152.23 g/mol |
| 단동위원소 질량 | 152.12011513 g/mol |
| SMILES | CCCCC/C=C/C=C/C=O |
| InChIKey | JZQKTMZYLHNFPL-BLHCBFLLSA-N |
| PubChem CID | 5283349 |
| ChEMBL | CHEMBL443949 |
| ChEBI | CHEBI:149547 |
| EC No. | 219-114-9 |
| DTXSID | DTXSID6024911 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| 물질 분류 | Other Classes -> Aldehydes |
| 지질 | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.866-0.8760.872 g/mL at 20 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in fixed oilsInsoluble in watersoluble (in ethanol)클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트, 메탄올에 용해됨 |
| 끓는 점 | 104 °C114-116 °C10 mm Hg(lit.) |
| 굴절률 | 1.512-1.517n20/D 1.515(lit.) |
| Physical Description | Pale yellow to dark brown liquid with a buttery, fatty, orange odor[Advanced BioTech MSDS] Strong green odorOdor like sweet oranges at high concentrations[Citrus and Allied Essences MSDS]Yellow liquidpowerful, oily, like chicken fat |
| 증기 밀도 | >1 (vs air) |
| FEMA | 3135 | 2-TRANS,4-TRANS-DECADIENAL |
| 인화점 | 214 °F |
| 저장 조건 | Amber Vial, -20°C Freezer, Under Inert Atmosphere |
| 물리적 상태 | 기름 |
| 색상 | 연한 노란색에서 노란색까지 |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 오렌지 달콤한 신선한 감귤류의 지방이 많은 녹색 |
| 향취 유형 | 지방이 많은 |
| 안정성 | 감광성 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 3.419 (est) |
| EPA | 2,4-Decadienal (2363-88-4) |
화학적 성질
2-trans, 4-trans-Decadienal has a powerful, oily, chicken fat odor and a sweet, orange-like odor at high concentration. It has a grapefruit- or orange-like taste on dilution.
안전 및 규제
| GHS 분류 | WarningH312 (99.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]P264, P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1607 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 0.4% (1 of 253) of reports. |
|---|---|
| 규제 정보 | Chemical: 2,4-DecadienalChemical: 2,4-Decadienal, (E,E)-Regulation (EC) No 1831/2003 (amended)2,4-Decadienal: Does not have an individual approval but may be used under an appropriate group standard2,4-Decadienal, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritant[Advanced BioTech MSDS] A skin irritant in rabbitsUndiluted product may cause eye irritationAt 2% in petroleum causes no skin irritation or sensitization in humans[Bedoukian Research MSDS] See 2,4-Hexadienal. |
| Hazard Classes and Categories | Acute Tox. 4 (81%)Acute Tox. 4 (99.9%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | HD3000000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| F 고인화성물질 | 10-23 |
용도
출처
Reported as occurring in peanut oil and, as a volatile component, in fried potatoes, the trans, trans- form is reported found among the volatile flavor components of potato chips and tomato. Also found in citrus peel oils, orange juice, tangerine juice, guava fruit, strawberry fruit, cabbage, carrot, raw potato, bell pepper, butter, cooked chicken, beer, rum, tea, peanut oil, popcorn, potato chips, corn tortilla, oatmeal, Brazil nut, roasted almonds, roasted peanuts and pecans, soybeans, cassava, caviar, cooked beef, lamb, mutton, and fish.
제조 및 합성 방법
제조 방법
By autooxidation of methyl (trans, trans)-linolate hydroperoxide.