trans,trans-2,4-ノナジエナール
trans,trans-2,4-ノナジエナール · 2，4-ノナジエナール · (2E,4E)-2,4-ノナジエン-1-オン · (2E,4E)-ノナ-2,4-ジエナール · (E,E)-ノナ-2,4-ジエナール · (2E,4E)-2,4-ノナンジエナール · (2E,4E)-2,4-ノナジエナール · 2,4-Nonadienal, (E,E)-
識別子と物理属性
| CAS No. | 30551-17-8 |
|---|---|
| 分子式 | C9H14O |
| 平均分子量 | 138.21 g/mol |
| 単同位体質量 | 138.10446507 g/mol |
| SMILES | CCCC/C=C/C=C/C=O |
| InChIKey | ZHHYXNZJDGDGPJ-BSWSSELBSA-N |
| PubChem CID | 5283339 |
| ChEMBL | CHEMBL4074177 |
| EC No. | 227-629-5 |
| DTXSID | DTXSID30884198 |
| 現地名 | trans,trans-2,4-ノナジエナール |
化学・物理的性質
| XLogP | 2.7 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 5 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 123 |
| 物質分類 | Other Classes -> Aldehydes |
| 脂質 | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| 密度 | 0.850-0.8700.862 g/mL at 25 °C(lit.) |
| 溶解度 | soluble in fixed oilsInsoluble in watersoluble (in ethanol)Chloroform (Soluble), DMSO (Slightly), Methanol (Sparingly)不溶性 |
| 沸点 | 97 °C (10 mm Hg)97-98 °C10 mm Hg(lit.) |
| 屈折率 | 1.522-1.525n20/D 1.5207(lit.) |
| Physical Description | Yellow or green liquid[Aldrich MSDS]Slightly yellow liquidstrong, fatty, floral |
| 蒸気密度 | >1 (vs air) |
| FEMA | 3212 | 2,4-NONADIENAL |
| 引火点 | 186 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | Liquid |
| 色 | やや黄色の液体 |
| 臭い | 強い脂肪臭、フローラル臭 |
| においのタイプ | 脂肪の多い |
| 由来生物 | synthetic |
| JECFA Number | 1185 |
| 安定性 | Light Sensitive |
| 化粧品成分の機能 | 香料 |
| InChI | 1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+ |
| InChIKey | ZHHYXNZJDGDGPJ-BSWSSELBSA-N |
| SMILES | [H]C(=O)\C([H])=C([H])\C([H])=C(/[H])CCCC |
| LogP（分配係数） | 2.65 |
| CAS データベース | 5910-87-2(CAS DataBase Reference) |
| NISTの化学物質情報 | 2,4-Nonadienal, (E,E)-(5910-87-2) |
| EPAの化学物質情報 | 2,4-Nonadienal, (2E,4E)- (5910-87-2) |
化学的特性
clear colorless to yellow liquid
安全性と法規制
| GHS 分類 | WarningH317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1436 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 2,4-Nonadienal, (E,E)-Chemical: Nonadienal2,4-Nonadienal, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| 有害性の概要 | May cause irritation[Aldrich MSDS] See 2,4-Hexadienal. |
| Hazard Classes and Categories | Skin Sens. 1 (> 99.9%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | NA 1993 / PGIII |
| 税関コード | 29121900 |
| 化審法 | (2)-2462 |
| 消防法 | 危-4-3-III |
| 安全措置（S） | 24/25 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
天然物の起源
Reported found in oxidized flavor of skim milk, in peas by enzymatic formation from lipids, salmon oil, sunflower oil (cis-, trans-, and trans, trans-form), the autooxidation of lard, frozen peas, tomatoes and as a volatile component in fish products. Also reported found in cranberry, asparagus, wheat bread, caviar, Russian cheeses, chicken, cooked beef, mutton, lamb and pork, cognac, filberts, peanuts, popcorn, oatmeal, soybean, olive, beans, mushrooms, Brazil nut, rice and buckwheat.
使用
trans,trans-2,4-Nonadienal is an unsaturated aldehyde that is responsible for the bean odour of soymilk. trans,trans-2,4-Nonadienal has also been identified as a potentially mutagenic substance by inducing oxidative DNA damage.
一般的な説明
trans,trans-2,4-Nonadienal forms adduct in the presence of tetrahydrofuran (THF).