2-Hydroxy-5-methoxybenzaldehyde (HCID 95695)

概要

5-methoxysalicylaldehyde is a member of the class of benzaldehydes carrying hydroxy and methoxy substituents at positions 2 and 5 respectively. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols. It is functionally related to a salicylaldehyde.

名称と識別子

優先名称: 2-Hydroxy-5-methoxybenzaldehyde
IUPAC: 2-hydroxy-5-methoxybenzaldehyde
現地名: 2-ヒドロキシ-5-メトキシベンズアルデヒド
英語名: 2-Hydroxy-5-methoxybenzaldehyde
分子式: C8H8O3
分子量: 152.15

名称と別名

2-Hydroxy-5-methoxybenzaldehyde672-13-95-Methoxysalicylaldehydem-Anisaldehyde, 6-hydroxy-Benzaldehyde, 2-hydroxy-5-methoxy-2-Formyl-4-methoxyphenolGYT2Q9UR3WNSC-30116CHEBI:137359DTXSID40217478RefChem:87441DTXCID40139969

名称をさらに表示

2-ヒドロキシ-5-メトキシベンズアルデヒド5-メトキシサリチルアルデヒド5-メトキシ-2-ヒドロキシベンズアルデヒド2‐ヒドロキシ‐5‐メトキシベンズアルデヒド2-ホルミル-4-メトキシフェノール6-HY6-hydroxy-m-anisaldehyd6-HYDROXY-3-ANISALDEHYDE4-Hydroxy-3-formylanisoleHydroxy-5-Methoxybenzaldeh

211-589-06-Hydroxy-m-anisaldehydeSalicylaldehyde, 5-methoxy-2-hydroxy-5-methoxy-benzaldehydeMFCD000033325-Methoxy-2-hydroxybenzaldehydeBRN 1100532Entacapone Impurity 64

データベース識別子

CAS: 672-13-9
PubChem CID: 95695
DTXSID: DTXSID40217478
ChEMBL: CHEMBL3660371
ChEBI: CHEBI:137359
UNII: GYT2Q9UR3W
EC Number: 211-589-0
Nikkaji: J1.722A

物性

構造計算による物性

XLogP: 1.8
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 135

物理化学的性質

融点: 4 °C · 4 °C (lit.)
沸点: 103 °C/2.5 · 103 °C/2.5 mmHg (lit.)
比重(密度): 1.219 g/mL · 1.219 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.578(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 液体
酸解離定数(Pka): 8.66 · 8.66±0.18(Predicted)
色: クリアイエロー
水溶解度: クロロホルムと混和します。水とわずかに混和する。
BRN: 1100532 · 1100532
InChI: 1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChIKey: FZHSPPYCNDYIKD-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(OC)ccc1O
LogP: 1.52 · 1.520 (est)
CAS データベース: 672 · 672-13-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzaldehyde, 2-hydroxy-5-methoxy-(672-13-9)

化学的性質

化学的特性clear yellow liquid

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 46 reports by companies from 5 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 (100%)

安全データ

F: 10-23
wgk: 3
rtecs: BZ2800000
hs_code: 29124900
risk_code: 36/37/38
化審法: (3)-1200
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用2-Hydroxy-5-methoxybenzaldehyde is employed to study electroantennogram response of the vine weevil (Otiorhynchus sulcatus F) to a broad range of volatile plant compounds. It plays an important role in the preparation of tetradentate Schiff base compounds. Further, it is used in the preparation 6-methoxy-3-nitro-2H-chromene by using dibutylamine as a reagent.

一般的な説明2-Hydroxy-5-methoxybenzaldehyde has acaricidal activity against Tyrophagus putrescentiae.