2,3-ジメトキシベンズアルデヒド

2,3-Dimethoxybenzaldehyde

HCID 66581CAS 86-51-1
部分構造検索類似構造を探す

基本情報

標準SMILES
COc1cccc(C=O)c1OC
InChIKey
JIVGSHFYXPRRSZ-UHFFFAOYSA-N
分子式
C9H10O3
平均分子量
166.17 g/mol
単同位体質量
166.06299418

概要

O-Veratraldehyde is a dimethoxybenzene.

名称と識別子

優先名称
2,3-Dimethoxybenzaldehyde
IUPAC
2,3-dimethoxybenzaldehyde
現地名
2,3-ジメトキシベンズアルデヒド
英語名
2,3-Dimethoxybenzaldehyde
分子式
C9H10O3
分子量
166.17

名称と別名

2,3-Dimethoxybenzaldehydeo-VeratraldehydeBenzaldehyde, 2,3-dimethoxy-5,6-DimethoxybenzaldehydeVERATRALDEHYDE, O-EINECS 201-677-78ALP3SY00LNSC 403661AI3-00141NSC-6314NSC-51953UNII-8ALP3SY00L
名称をさらに表示
2,3-ジメトキシベンズアルデヒドo-ベラトルムアルデヒドo-ベラトルアルデヒド2，3ジメトキシベンズアルデヒド2-VERATRALDEHYDE4-DiethoxybenzeneAKOS BBS-00003161OrthoveratraldehydeO-VERATRIC ALDEHYDE2,3-DimethoxybenzaldLABOTEST-BB LT009323253-DiMethoxybenzaldehyde
NSC-403661DTXSID802353332-Hydroxy-3-methoxybenzaldehyde, methyl etheroVeratraldehydeoVeratraldehyde (8CI)RefChem:81799o-Veratraldehyde (8CI)Benzaldehyde, 2,3dimethoxy

データベース識別子

CAS
86-51-1
PubChem CID
66581
DTXSID
DTXSID80235333
ChEMBL
CHEMBL3039102
ChEBI
CHEBI:228697
UNII
8ALP3SY00L
EC Number
201-677-7
Nikkaji
J96.722J

物性

構造計算による物性

XLogP
1.1
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
12

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzaldehydes
Physical DescriptionOff-white or yellow moist crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点
48 · 48-52 °C (lit.)
沸点
137 °C/12 · 137 °C/12 mmHg (lit.)
比重(密度)
1.1708 · 1.1708 (rough estimate)
屈折率
1.55 · 1.5500 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性white to brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzaldehyde, 2,3-dimethoxy-

Benzaldehyde, 2,3-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Vanillin, Syringaldehyde, and 2-Methoxybenzaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
rtecs
CU5732000
hs_code
29124900
risk_code
36/37/38
化審法
(3)-2665
hazard_code
Xi

化学と産業

応用分野 · 2 件

説明2,3-Dimethoxybenzaldehyde, commonly known as o-veratrol, is an important aromatic aldehyde compound. Its structure is characterized by two methoxy substituents and one aldehyde group at the ortho (2 and 3) positions of the benzene ring. Due to its unique chemical structure, this compound occupies a central position in the field of pharmaceutical intermediates, especially as a key precursor in the synthesis of berberine. Furthermore, it possesses significant biological activities, such as antifungal and antiviral effects.

使用2,3-Dimethoxybenzaldehyde possess antifungal activity of redox-active benzaldehydes that target cellular antioxidation. It could function as chemosensitizing agents in concert with conventional drugs to improve antifungal efficacy.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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