2,6-ジメチルベンズアルデヒド

2,6-Dimethylbenzaldehyde

HCID 583841CAS 1123-56-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cccc(C)c1C=O
InChIKey: QOJQBWSZHCKOLL-UHFFFAOYSA-N
分子式: C9H10O
平均分子量: 134.17 g/mol
単同位体質量: 134.07316494

名称と識別子

優先名称: 2,6-Dimethylbenzaldehyde
IUPAC: 2,6-dimethylbenzaldehyde
現地名: 2,6-ジメチルベンズアルデヒド
英語名: 2,6-Dimethylbenzaldehyde
分子式: C9H10O
分子量: 134.18

名称と別名

2,6-Dimethylbenzaldehyde1123-56-4DTXSID40342693RefChem:445712DTXCID00293773877-950-5MFCD001280032-Formyl-m-xylenem-Xylene-2-carboxaldehydeBENZALDEHYDE, 2,6-DIMETHYL-2,6-DiMethyl-Benzaldehyde2,6-dimethylbenzaldehyd

名称をさらに表示

2,6-ジメチルベンズアルデヒドm-キシレン-2-カルボキシアルデヒド7-Fluoroacetophenone2,6-Dimethylbenzaldehyde>2,6-Dimethylbenzaldehyde,97%2,6-Dimethylbenzaldehyde 97%

2,6-Dimethyl benzaldehydeSCHEMBL66979SCHEMBL476988SCHEMBL283873212,6-Dimethylbenzaldehyde, 97%CL8253SBB063825AKOS005255233

データベース識別子

CAS: 1123-56-4
PubChem CID: 583841
DTXSID: DTXSID40342693
EC Number: 877-950-5
Nikkaji: J328.260K

物性

構造計算による物性

XLogP: 2.1
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: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 27 · 27-30 °C (lit.)
沸点: 230 °C · 230 °C (lit.)
比重(密度): 1.003 · 1.003±0.06 g/cm3(Predicted)
闪点: 27 °C · 27 °C
屈折率: 1.548 · 1.5480
貯蔵温度: Inert atmosphere,Room Temperature
外見: 個体
色: 白から黄色
水溶解度: 水にわずかに溶ける。
InChI: 1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3
InChIKey: QOJQBWSZHCKOLL-UHFFFAOYSA-N
SMILES: [H]C(=O)c1c(C)cccc1C
CAS データベース: 1123 · 1123-56-4(CAS DataBase Reference)

化学的性質

化学的特性Colorless to yellow liquid or low melting solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

wgk: 3
hs_code: 29122990
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用2,6-Dimethylbenzaldehyde has been used as a catalyst for steresopecific polymerization of propylene, and as well, has been used to study the control of postharvest botrytis fruit rot of strawberry and how the volatile Candida intermedia produced, effects mycelial growth of Botrytis cinerea.