基本情報
- CAS
5187-71-3- 標準SMILES
C=CCC(C)C=O- InChIKey
RCQKLWAPRHHRNN-UHFFFAOYSA-N- 分子式
- C6H10O
- 平均分子量
- 98.14 g/mol
- 単同位体質量
- 98.07316494
名称と識別子
- 優先名称
- 2-Methylpent-4-enal
- IUPAC
- 2-methylpent-4-enal
- 現地名
- 2-メチル-4-ペンテナール
- 英語名
- 2-METHYL-PENT-4-ENAL
- 分子式
- C6H10O
- 分子量
- 98.14
名称と別名
2-Methyl-4-pentenal2-methylpent-4-enal5187-71-3DTXSID90966202RefChem:476135DTXCID20839076966-064-52-METHYL-PENT-4-ENAL4-Pentenal, 2-methyl-2-Methyl-4-pentenal #SCHEMBL548844SCHEMBL680097
名称をさらに表示
2-メチル-4-ペンテナール2-メチルペンタ-4-エナール
SCHEMBL1414105CHEBI:173330AKOS006290859DA-25871NS00010716EN300-2964850
データベース識別子
- CAS
5187-71-3- PubChem CID
- 521355
- DTXSID
DTXSID90966202- ChEBI
CHEBI:173330- EC Number
- 966-064-5
- Nikkaji
- J129.683C
物性
構造計算による物性
- XLogP
- 1.3
- 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
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 66
実験および物理化学的性質
Kovats Retention Index
776.3；798
792.8
1141；1141；1141
物理化学的性質
- 融点
- -78 °C · -78°C (estimate)
- 沸点
- 133.68 °C · 133.68°C (estimate)
- 比重(密度)
- 0.8483 · 0.8483 (estimate)
- 屈折率
- 1.4276 · 1.4276 (estimate)
- LogP
- 1.467 · 1.467 (est)
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
化学と産業
薬理情報
Cellular LocationsCytoplasm；Extracellular
応用分野
使用2-Methyl-pent-4-enal can be used to study the chemical constituents of cucumber.
上流・下流製品情報
上流原料
サプライヤー3 社
赛纳斯特化学（欢迎点击联系）021-60343070
BOC Sciences
関連反応
4 件
化合物ノート
読み込み中…