基本情報
- CAS
2363-88-4- 標準SMILES
CCCCC/C=C/C=C/C=O- InChIKey
JZQKTMZYLHNFPL-BLHCBFLLSA-N- 分子式
- C10H16O
- 平均分子量
- 152.23 g/mol
- 単同位体質量
- 152.12011513
概要
(2E,4E)-deca-2,4-dienal is a polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes. It has a role as a nematicide and an apoptosis inducer.
名称と識別子
- 優先名称
- 2,4-Decadienal
- IUPAC
- (2E,4E)-deca-2,4-dienal
- 現地名
- 2,4-デカジエン-1-アール
- 英語名
- trans,trans-2,4-Decadienal
- 分子式
- C10H16O
- 分子量
- 152.23
名称と別名
2,4-DECADIENAL2363-88-4DTXSID4047626RefChem:908722DTXCID2027626219-114-9(2E,4E)-deca-2,4-dienaltrans,trans-2,4-Decadienal25152-84-5(E,E)-2,4-Decadienal2,4-Decadienal, (2E,4E)-trans,trans-2,4-Decadien-1-al
名称をさらに表示
2,4-デカンジエナール2,4-デカジエナール2,4-デカジエン-1-アール2，4デカジエナ-ルDDAFEMA 3135TRANS-2, TRANS-4-DECADIENALDECA-2,4-DIENAL2,4-DECADIEN-1-AL4-DECADIENALDECADIENAL 2,42E,4E-DECADIENALT2 T4 DECADIENAL
(2E,4E)-Decadienal2,4-Decadienal, (E,E)-(2E,4E)-2,4-Decadienal2-trans-4-trans-Decadienal2,4,7-tridecadienalMFCD00007007FEMA No. 31352-trans,4-trans-decadienal
データベース識別子
- CAS
2363-88-4、25152-84-5、30551-18-9- PubChem CID
- 5283349
物性
構造計算による物性
- XLogP
- 3.2
- 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
- 11
- 形式電荷
- 0
- 複雑度
- 134
実験および物理化学的性質
Chemical ClassesOther Classes -> Aldehydes
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.866-0.876
Flavoring AgentsEU Flavoring substances
Solubility
soluble in fixed oils; Insoluble in water
soluble (in ethanol)
Boiling Point104 °C
Refractive Index1.512-1.517
Physical Description
Pale yellow to dark brown liquid with a buttery, fatty, orange odor; [Advanced BioTech MSDS] Strong green odor; Odor like sweet oranges at high concentrations; [Citrus and Allied Essences MSDS]
Yellow liquid; powerful, oily, like chicken fat
物理化学的性質
- 沸点
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
H312 (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.
Warning
危険有害性情報
Regulatory Information
Chemical: 2,4-Decadienal
Chemical: 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 standard
2,4-Decadienal, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Advanced BioTech MSDS] A skin irritant in rabbits; Undiluted product may cause eye irritation; At 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%)
安全データ
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD3000000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
用途と製造
UsesUsed as flavoring agent; [Advanced BioTech MSDS]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
2,4-Decadienal: ACTIVE
2,4-Decadienal, (2E,4E)-: ACTIVE
応用分野
天然物の起源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.
調製方法
製造方法By autooxidation of methyl (trans, trans)-linolate hydroperoxide.
サプライヤー100 社
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
聊城信立新材料有限公司18963527911 18006357927 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
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