基本情報
- CAS
2363-89-5- 標準SMILES
CCCCCC=CC=O- InChIKey
LVBXEMGDVWVTGY-UHFFFAOYSA-N- 分子式
- C8H14O
- 平均分子量
- 126.2 g/mol
- 単同位体質量
- 126.10446507
概要
oct-2-enal has been reported in Pternistria bispina, Gossypium hirsutum, and other organisms with data available.
名称と識別子
- 優先名称
- Oct-2-enal
- IUPAC
- oct-2-enal
- 現地名
- 2-オクテン-1-アール
- 英語名
- oct-2-enal
- 分子式
- C8H14O
- 分子量
- 126.2
名称と別名
oct-2-enalCHEBI:61725oct-2-en-1-alRefChem:855400219-115-42-OCTENAL2363-89-5OCTENAL2-(E)-octenaloct-(e)-2-enalOct-2(E)-enalDTXSID0062349
名称をさらに表示
2-オクテン-1-アール2-オクテナールtrans-2-オクテナ-ル2-Octen-1-al
n-Oct-2-enal(Z)-2-octen-1-alTrans-2-OCTEN-L-ALEpitope ID:143639SCHEMBL310029SCHEMBL1535636AKOS025243624DB-120366
データベース識別子
- CAS
2363-89-5、2548-87-0- PubChem CID
- 16900
- DTXSID
DTXSID0062349- EC Number
- 219-115-4
物性
構造計算による物性
- XLogP
- 2.6
- 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
- 5
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 84.6
実験および物理化学的性質
FragrancesFragrance Ingredient (2-Octenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.835-0.845
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Soluble in most fixed oils
Soluble (in ethanol)
Boiling Point
84.00 to 86.00 °C. @ 19.00 mm Hg
84-86 °C (19 mm Hg)
Refractive Index1.449-1.455
Physical DescriptionColourless to slightly yellow liquid; Fatty, green aroma
物理化学的性質
- 沸点
- 190 ℃ · 190℃
- 比重(密度)
- 0.832 · 0.832
- FEMA
- 3215 · 3215 | 2-OCTENAL
- 闪点
- 68 ℃ · 68℃
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
This chemical does not meet GHS hazard criteria for 16.8% (259 of 1545) of reports.
Warning
H315 (83.2%): 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 1545 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 Information
Chemical: 2-Octenal
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Octenal: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Octenal: Environment tier I assessment
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-Octenal 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.
Cellular LocationsMembrane
用途と製造
UsesNaturally produced by the body (endogenous).
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Octenal: ACTIVE
応用分野
説明2-Octenal has a peculiar green-leafy odor which is less fatty than octanal with an orange, honey-like, cognac-like aroma. 2-Octenal may be prepared by prolonged heating of a solution of heptanal and formaldehyde in the presence of dimethylamino hydrochloride; by boiling 4,5-diketo-3-pentyltetrahydrofuran under a nitrogen blanket.
天然物の起源Reported found in potato chips, orange juice, cranberry, strawberry, asparagus, cabbage, peas, tomato, wheat and crisp bread, Russian cheeses, caviar, butter, yogurt, fish, beef and lamb fat, cured pork, roasted filberts and peanuts, peanut butter, soybean, mushroom, walnut, rice, corn tortillas, malt and sweet grass oil.
調製方法
製造方法By prolonged heating of a solution of heptanal and formaldehyde in the presence of dimethylamino hydrochloride; by boiling 4,5-diketo-3-penthyltetrahdyrofuran under a nitrogen blanket.
関連反応
2 件
化合物ノート
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