Oct-2-ene

HCID 8126CAS 111-67-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC=CCCCCC
InChIKey: ILPBINAXDRFYPL-UHFFFAOYSA-N
分子式: C8H16
平均分子量: 112.21 g/mol
単同位体質量: 112.12520051

概要

See also: 2-Octene (annotation moved to).

名称と識別子

優先名称: Oct-2-ene
IUPAC: oct-2-ene

名称と別名

oct-2-eneRefChem:855401203-894-22-Octene, (2Z)-7642-04-82-Octyleneocta-2-eneoct-6-eneSCHEMBL21022SCHEMBL35677SCHEMBL83358SCHEMBL103043

名称をさらに表示

SCHEMBL387191SCHEMBL387192SCHEMBL456278SCHEMBL944166SCHEMBL1112325SCHEMBL1113091SCHEMBL1113173SCHEMBL2899549

データベース識別子

CAS: 111-67-1
PubChem CID: 8126
DTXSID: DTXSID0059407
EC Number: 203-894-2

物性

構造計算による物性

XLogP: 3.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 4
重原子数: 8
形式電荷: 0
複雑度: 53.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesDensity

Physical DescriptionClear colorless liquid; [Pfaltz and Bauer MSDS]

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 130 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]