2-Pentenal

HCID 12993CAS 1576-87-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC=CC=O
InChIKey: DTCCTIQRPGSLPT-UHFFFAOYSA-N
分子式: C5H8O
平均分子量: 84.12 g/mol
単同位体質量: 84.05751488

概要

2-Pentenal has been reported in Medicago sativa with data available.

名称と識別子

優先名称: 2-Pentenal
IUPAC: pent-2-enal

名称と別名

pent-2-enal2-PENTENAL764-39-6DTXSID9061091CHEBI:61722RefChem:910193DTXCID5047877212-120-23-Ethyl-2-propenal3-Ethylacroleingamma-Methylcrotonaldehydealpha-pentenal

名称をさらに表示

n-pentenalEpitope ID:143636SCHEMBL262486SCHEMBL262487SCHEMBL7575000SCHEMBL11427575SCHEMBL16837108SCHEMBL16837110

データベース識別子

CAS: 1576-87-0、764-39-6
PubChem CID: 12993
DTXSID: DTXSID9061091
EC Number: 212-120-2

物性

構造計算による物性

XLogP: 1
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: 2
重原子数: 6
形式電荷: 0
複雑度: 55

実験および物理化学的性質

Chemical ClassesOther Classes -> Aldehydes

FragrancesFragrance Ingredient (2-Pentenal) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.850-0.856 (21 °C)

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Insoluble in water; soluble in PG, in most fixed oils

Soluble (in ethanol)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (98.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1552 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Pentenal

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazards SummaryMay cause irritation; Use chemically protective gloves and goggles or face shield. Respiratory protection may be necessary, especially if working area not well ventilated; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 2 (98.5%)