(2E)-Decenal

HCID 5283345

基本情報

CAS: 25447-70-5
標準SMILES: CCCCCCC/C=C/C=O
InChIKey: MMFCJPPRCYDLLZ-CMDGGOBGSA-N
分子式: C10H18O
平均分子量: 154.25 g/mol
単同位体質量: 154.13576519

概要

(2E)-dec-2-enal is a dec-2-enal in which the olefinic double bond has E configuration. It has a role as a mutagen, a nematicide and an alarm pheromone.

名称と識別子

優先名称: (2E)-Decenal
IUPAC: (E)-dec-2-enal
英語名: DECENAL
分子量: 0

名称と別名

(2E)-decenalRefChem:471255trans-2-Decenal(E)-Dec-2-enal2-DECENAL3913-81-3decenal(E)-2-Decenal(2E)-2-Decenal3-HeptylacroleinDecenaldehyde2-Decenal, (2E)-

名称をさらに表示

3913-71-12-Decenal, (E)-2-Decen-1-alDecylenic aldehydetrans-Dec-2-enalMFCD00014679FEMA No. 2366(2E)-dec-2-enal

データベース識別子

CAS: 25447-70-5、3913-71-1、3913-81-3
PubChem CID: 5283345
DTXSID: DTXSID5047035
ChEMBL: CHEMBL507518
ChEBI: CHEBI:133455
UNII: E93S23U2BU
EC Number: 223-472-1、223-474-2
Nikkaji: J100.128K、J79.874F

物性

構造計算による物性

XLogP: 3.7
極性表面積: 17.1 Å²
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: 7
重原子数: 11
形式電荷: 0
複雑度: 105

実験および物理化学的性質

Chemical ClassesOther Classes -> Aldehydes

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

CosmeticsMasking

Fragrances · 2 件

Fragrance Ingredient (2-Decenal) -> IFRA transparency List

Fragrance Ingredient (trans-2-Decenal) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

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 · 6 件

Warning

H315 (97.4%): 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 1491 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 6 件

Chemical: 2-Decenal

Chemical: 2-Decenal, (E)-

Regulation (EC) No 1831/2003 (amended)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2-Decenal: Does not have an individual approval but may be used under an appropriate group standard

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

Other Safety Information · 2 件

IMAP assessments - 2-Decenal, (E)-: Environment tier I assessment

IMAP assessments - 2-Decenal: Environment tier I assessment

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See trans-2-Hexenal.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Skin Irrit. 2 (97.4%)

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Masking

General Manufacturing Information · 2 件

2-Decenal: ACTIVE

2-Decenal, (2E)-: ACTIVE

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 25447-70-5
標準SMILES: CCCCCCC/C=C/C=O
InChIKey: MMFCJPPRCYDLLZ-CMDGGOBGSA-N
分子式: C10H18O
平均分子量: 154.25 g/mol
単同位体質量: 154.13576519

概要

(2E)-dec-2-enal is a dec-2-enal in which the olefinic double bond has E configuration. It has a role as a mutagen, a nematicide and an alarm pheromone.