trans,trans-2,4-ノナジエナール

2,4-Nonadienal

HCID 5283339CAS 30551-17-8
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCC/C=C/C=C/C=O
InChIKey
ZHHYXNZJDGDGPJ-BSWSSELBSA-N
分子式
C9H14O
平均分子量
138.21 g/mol
単同位体質量
138.10446507

概要

(2E,4E)-2,4-nonadienal has been reported in Artemisia annua, Prunus avium, and Agaricus bisporus with data available.

名称と識別子

優先名称
2,4-Nonadienal
IUPAC
(2E,4E)-nona-2,4-dienal
現地名
trans,trans-2,4-ノナジエナール
英語名
trans,trans-2,4-Nonadienal
分子式
C9H14O
分子量
138.21

名称と別名

trans,trans-2,4-Nonadienal5910-87-22,4-Nonadienal, (2E,4E)-(2E,4E)-nona-2,4-dienal2,4-NONADIENAL2,4-Nonadienal, (E,E)-Nonadienal2,4-trans,trans-Nonadienaltrans,trans-2,4-Nonadien-1-alMFCD00007006Nona-2,4-dien-1-al(E,E)-2,4-nonadienal
名称をさらに表示
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-NONADIEN-1-ALFEMA 3212(e,e)-4-nonadienal2,4-Nonadienaldehyde
FEMA No. 3212Y411G77SH7trans,trans-2,4-Nonadienal (>90%)(E,E)-nona-2,4-dienaltrans,trans-Nona-2,4-dienalUNII-Y411G77SH7(2E,4E)-2,4-NonadienalEINECS 227-629-5

データベース識別子

CAS
30551-17-8、5910-87-2、6750-03-4
PubChem CID
5283339
DTXSID
DTXSID30884198
ChEMBL
CHEMBL4074177
UNII
Y411G77SH7
EC Number
227-629-5、250-233-9
Nikkaji
J224K、J60.729K

物性

構造計算による物性

XLogP
2.7
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
10

実験および物理化学的性質

Chemical ClassesOther Classes -> Aldehydes
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Density0.850-0.870
Solubility · 2 件

soluble in fixed oils; Insoluble in water

soluble (in ethanol)

Boiling Point97 °C (10 mm Hg)
Refractive Index1.522-1.525

物理化学的性質

沸点
97 · 97-98 °C10 mm Hg(lit.)
比重(密度)
0.862 g/mL · 0.862 g/mL at 25 °C(lit.)
蒸気密度
1 · >1 (vs air)
屈折率
20 · n20/D 1.5207(lit.)
FEMA
3212 · 3212 | 2,4-NONADIENAL
闪点
186 °F · 186 °F

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (> 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.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2,4-Nonadienal, (E,E)-

Chemical: Nonadienal

2,4-Nonadienal, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryMay cause irritation; [Aldrich MSDS] See 2,4-Hexadienal.
Hazard Classes and CategoriesSkin Sens. 1 (> 99.9%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
NA 1993 / PGIII
hs_code
29121900
化審法
(2)-2462
消防法
危-4-3-III

化学と産業

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

2,4-Nonadienal, (2E,4E)-: ACTIVE

Nonadienal: INACTIVE

応用分野 · 3 件

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).

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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