Hexa-2,4-dienal

HCID 8901CAS 142-83-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC=CC=CC=O
InChIKey: BATOPAZDIZEVQF-UHFFFAOYSA-N
分子式: C6H8O
平均分子量: 96.13 g/mol
単同位体質量: 96.05751488

概要

2,4-hexadienal has been reported in Medicago sativa and Cucumis sativus with data available.

名称と識別子

優先名称: Hexa-2,4-dienal
IUPAC: hexa-2,4-dienal

名称と別名

Hexa-2,4-dienalDTXSID20859279RefChem:785769DTXCID908097012,4-Hexadienal (mixture of isomers)(E,E)-2,4-Hexadien-1-al2,4-HexadienaldehydSCHEMBL226017CCRIS 5124orb3180007SCHEMBL1065858BATOPAZDIZEVQF-UHFFFAOYSA-N

名称をさらに表示

NSC 16184NSC 68096AKOS030228154SB85358SY464809DB-260378NS00008669

データベース識別子

CAS: 142-83-6、80466-34-8
PubChem CID: 8901
DTXSID: DTXSID20859279
EC Number: 205-564-3

物性

構造計算による物性

XLogP: 1.2
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: 7
形式電荷: 0
複雑度: 90.4

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1697 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.