2-Ethylhex-2-Enal

HCID 12582CAS 645-62-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCC=C(C=O)CC
InChIKey: PYLMCYQHBRSDND-UHFFFAOYSA-N
分子式: C8H14O
平均分子量: 126.2 g/mol
単同位体質量: 126.10446507

概要

See also: 2-Ethyl-3-propylacrolein (annotation moved to).

名称と識別子

優先名称: 2-Ethylhex-2-Enal
IUPAC: 2-ethylhex-2-enal

名称と別名

2-Ethylhex-2-enalRefChem:4719302-ethyl-2-hex-enalSCHEMBL366897SCHEMBL4144617CHEMBL3181995AKOS030253178SB85342DB-054689E0123NS00077503Q24735451

データベース識別子

CAS: 645-62-5
PubChem CID: 12582
DTXSID: DTXSID4025296
ChEMBL: CHEMBL3181995
EC Number: 211-448-3

物性

構造計算による物性

XLogP: 2.3
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: 4
重原子数: 9
形式電荷: 0
複雑度: 103

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.4% (3 of 708) of reports.

Warning

H315 (99.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 708 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.