基本情報
- CAS
557-48-2- 標準SMILES
CC/C=C\CC/C=C/C=O- InChIKey
HZYHMHHBBBSGHB-ODYTWBPASA-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,6Z)-nona-2,6-dienal is an enal that is (2E,6Z)-nona-2,6-diene substituted by an oxo group at position 1. It has a role as a plant metabolite. It is an enal and a trans-2,3-unsaturated fatty aldehyde.
名称と識別子
- 優先名称
- trans-2,cis-6-Nonadienal
- IUPAC
- (2E,6Z)-nona-2,6-dienal
- 現地名
- (2E,6Z)-2,6-ノナジエナール
- 英語名
- FEMA 3377
- 分子式
- C9H14O
- 分子量
- 138.21
名称と別名
trans-2,cis-6-Nonadienal(2E,6Z)-nona-2,6-dienaltrans,cis-2,6-NonadienalViolet leaf aldehydeCucumber aldehyde(2E,6Z)-Nonadienal(2E,6Z)-2,6-Nonadienal2-trans-6-cis-Nonadienal2E,6Z-nonadienalCHEBI:7610RefChem:898735DTXCID701767739
名称をさらに表示
(2E,6Z)-2,6-ノナジエナールキューカンバーアルデヒドtrans,cis-2,6-ノナジエナールTRANS-2,CIS-6-ノナジエン-1-アルTRANS-2,CIS-6-ノナジエナールFEMA 3377NONADIENAL-2,6T2 C6 NONADIENAL(e,z)-6-nonadienal
DTXSID1047104557-48-2(E,Z)-2,6-nonadienal2,6-Nonadienal, (2E,6Z)-(2E,6Z)-Nona-2,6-dien-1-al2,6-NONADIENAL, (E,Z)-Nona-2,6-dienal2-trans-6-cis-Nonadien-1-al
データベース識別子
- CAS
557-48-2- PubChem CID
- 643731
- DTXSID
DTXSID1047104- ChEBI
CHEBI:7610
物性
構造計算による物性
- XLogP
- 2.2
- 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
- 5
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 123
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
FragrancesFragrance Ingredient (Nona-2-trans-6-cis-dienal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.850-0.870
Solubility
very slightly
Soluble in most fixed oils; Insoluble in water
soluble (in ethanol)
Boiling Point
94.00 to 95.00 °C. @ 18.00 mm Hg
94 °C
Refractive Index1.470-1.475
Physical DescriptionSlightly yellow liquid; powerful, violet, cucumber
物理化学的性質
- 沸点
- 94 · 94-95 °C18 mm Hg(lit.)
- 比重(密度)
- 0.86 g/mL · 0.86 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.474(lit.)
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 6.9% (105 of 1526) of reports.
Warning
H315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1526 reports by companies from 9 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: 2,6-Nonadienal, (E,Z)-
2,6-Nonadienal, (2E,6Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (90.5%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RA5391800
- ridadr
- NA 1993 / PGIII
- 毒性
- LD50 orl-rat: >5 g/kg FCTOD7 20,769,82
- hs_code
- 2912.19.5000
- risk_code
- 36/37/38
- 消防法
- 危-4-3-III
- safety_code
- 24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Household ProductsInformation on 1 consumer products that contain Nonadienal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2,6-Nonadienal, (2E,6Z)-: ACTIVE
応用分野
天然物の起源Reported as naturally occurring in violet leaves and flowers, in cucumber, sweet and sour cherry, guava, peas, tomato, potato, bell pepper, wheat bread, rye bread, milk, milk powder, fish and fish oil, roast chicken, guinea hen, beef, beer, coffee, tea, oats, mango, kelp, prickly pear, malt, dried bonito, endive, oysters, clam and mate.
使用trans-2,cis-6-Nonadienal is an unsaturated aldehyde that is responsible for the cucumber smell of Synura petersenii, a freshwater colonial flagellate. trans-2,cis-6-Nonadienal is also a common natural and drinking water contaminant.
一般的な説明trans-2,cis-6-Nonadienal is the key contributor to the cucumber flavor. It is also found in mango ripened anchovy and kelp. Unialgal cultures of various Synurophycean species for the occurrence of trans-2,cis-6-nonadienal have been investigated.
調製方法
製造方法From natural hexenol
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
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