基本情報
- CAS
2463-53-8- 標準SMILES
CCCCCCC=CC=O- InChIKey
BSAIUMLZVGUGKX-UHFFFAOYSA-N- 分子式
- C9H16O
- 平均分子量
- 140.22 g/mol
- 単同位体質量
- 140.12011513
概要
non-2-enal has been reported in Fuscopostia leucomallella, Gossypium hirsutum, and other organisms with data available.
名称と識別子
- 優先名称
- Non-2-enal
- IUPAC
- non-2-enal
- 現地名
- 2-ノネナール
- 英語名
- 2-Nonenal
- 分子式
- C9H16O
- 分子量
- 140.22
名称と別名
Non-2-enalCHEBI:61726RefChem:854435Nonenal30551-15-6.beta.-Hexylacrolein.alpha.-Nonenyl aldehyden-non-2-enal(Z)-2-nonen-1-alEpitope ID:143640SCHEMBL102464SCHEMBL1834413
名称をさらに表示
α-ノネニルアルデヒドβ-ヘキシルアクロレイン2-ノネナール2-ノネン-1-アールtrans-2-ノネナ-ルノナ-2-エナール2-TRANS-NONENALNsc207462-nonenalFEMA 3213T2 NONENAL2-NONEN-1-ALβ-Hexylacrolein(2Z)-NON-2-ENALα-Nonenyl aldehyde
SCHEMBL1834414SCHEMBL2163660SCHEMBL27925174SCHEMBL27925175DB-044673NS00093618Q27131346trans-2-Nonenal (contains trans-2-Nonenal diethyl acetal) (ca. 10% in Ethanol, ca. 0.57 mol/L)
データベース識別子
- CAS
2463-53-8、30551-15-6- PubChem CID
- 17166
- DTXSID
DTXSID3047219- EC Number
- 219-562-5
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 17.1 Ų
- 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
- 6
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 94.9
実験および物理化学的性質
Density0.855-0.865
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in most fixed oils; Insoluble in water
Soluble (in ethanol)
Boiling Point88-90 °C (12 mm Hg)
Refractive Index1.454-1.460
Physical DescriptionWhite to slightly yellow liquid; Powerful, penetrating fatty, violet aroma
物理化学的性質
- 融点
- -28 °C · -28°C (estimate)
- 沸点
- 88 · 88-90 °C12 mm Hg(lit.)
- 比重(密度)
- 0.846 g/mL · 0.846 g/mL at 25 °C(lit.)
- 蒸気密度
- 1 · >1 (vs air)
- 屈折率
- 20 · n20/D 1.453(lit.)
- FEMA
- 3213 · 3213 | 2-NONENAL
- 闪点
- 184 °F · 184 °F
- 色
- 白色～わずかに黄色の液体
- 臭い (Odor)
- 脂肪臭、スミレ臭
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1550 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationRegulation (EC) No 1831/2003 (amended)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
毒性情報
TreatmentKidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored.
Health EffectsChronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.
Exposure RoutesEndogenous, Ingestion, Dermal (contact)
Toxicity Summary
Uremic toxins such as 2-Nonenall are actively transported into the kidneys via organic ion transporters (especially OAT3). Increased levels of uremic toxins can stimulate the production of reactive oxygen species. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Reactive oxygen species can induce several different DNA methyltransferases (DNMTs) which are involved in the silencing of a protein known as KLOTHO. KLOTHO has been identified as having important roles in anti-aging, mineral metabolism, and vitamin D metabolism. A number of studies have indicated that KLOTHO mRNA and protein levels are reduced during acute or chronic kidney diseases in response to high local levels of reactive oxygen species (A7869).
化学と産業
薬理情報
Metabolism/MetabolitesUremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.
用途と製造
UsesNaturally produced by the body (endogenous).
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
応用分野
説明2-Nonenal has a very powerful, penetrating fatty odor in concentrated form. It is orris-like, waxy, and quite pleasant on dilution. The odor is reminiscent of dried orange peels. Prepared by oxidation of 9,10,12-trihydroxy stearic acid (Criegee reaction).
天然物の起源Reported found in orris oil, melon, peach, asparagus, carrot, peas, tomato, wheat and crisp breads, Russian cheeses, caviar, butter, fish oil, cooked beef, mutton, pork, and their fats, hop oil, cognac, roasted filberts and peanuts, soybean, beans, sesame seed, mango, rice, beer, and potato chips
使用The concentration in a perfume oil may be of the order of magnitude of 0.01 to 0.03%. An addition of 0.02% of 2-Nonenal to a normal grade of "gamma" -Methylionone will produce a distinctly ("orrisy") perceptible effect, desirable and attractive in the opinion of many perfumers.
調製方法
製造方法By oxidation of 9,10,12-trihydroxystearic acid (Criegee reaction)
上流・下流製品情報
上流原料
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