基本情報
- CAS
22080-96-2- 標準SMILES
COc1cc(O)cc(OC)c1C=O- InChIKey
HZWPJAZIRZFCGX-UHFFFAOYSA-N- 分子式
- C9H10O4
- 平均分子量
- 182.17 g/mol
- 単同位体質量
- 182.0579088
概要
4-Hydroxy-2,6-dimethoxybenzaldehyde has been reported in Gymnadenia conopsea with data available.
名称と識別子
- 優先名称
- 2,6-Dimethoxy-4-hydroxybenzaldehyde
- IUPAC
- 4-hydroxy-2,6-dimethoxybenzaldehyde
- 現地名
- 4-ヒドロキシ-2,6-ジメトキシベンズアルデヒド
- 英語名
- 4-Hydroxy-2,6-dimethoxybenzaldehyde
- 分子式
- C9H10O4
- 分子量
- 182.17
名称と別名
2,6-Dimethoxy-4-hydroxybenzaldehydeRefChem:445616624-897-94-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-24-hydroxy-2,6-dimethoxy-benzaldehydeMFCD01407645Benzaldehyde, 4-hydroxy-2,6-dimethoxy-4-FORMYL-3,5-DIMETHOXYPHENOLSCHEMBL2833543,5-DIMETHOXY-4-FORMYL-PHENOLAC-4471
名称をさらに表示
4-ヒドロキシ-2,6-ジメトキシベンズアルデヒド2,6-ジメトキシ-4-ヒドロキシベンズアルデヒドVHR DQ BO1 FO1TIMTEC-BB SBB0086404-Hydroxy-2,6-dimethoxybenzaldehyde>3,5-Dimethoxy-4-formyl-phenol≥ 98% (HPLC)
PS-3331SY0300462,6-Dimethoxy-4-hydroxybenzaldehyde, 95%Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl)10.14272/HZWPJAZIRZFCGX-UHFFFAOYSA-N.1BCP18466AM83003A815905
データベース識別子
- CAS
22080-96-2- PubChem CID
- 529894
- DTXSID
DTXSID10336201- EC Number
- 624-897-9
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 55.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 157
物理化学的性質
- 融点
- 225 °C · 225 °C (dec.)(lit.)
- 沸点
- 370.4 · 370.4±37.0 °C(Predicted)
- 比重(密度)
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 7.04 · 7.04±0.23(Predicted)
- 色
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
- InChIKey
- HZWPJAZIRZFCGX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(OC)C=C(O)C=C1OC
- CAS データベース
- 22080 · 22080-96-2(CAS DataBase Reference)
化学的性質
化学的特性light yellow powder
安全と法規制
GHS分類
GHS Classification
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 158 reports by companies from 6 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
- wgk
- 3
- hs_code
- 29125000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用2,6-Dimethoxy-4-hydroxybenzaldehyde (4-hydroxy-2,6-dimethoxybenzaldehyde) may be used as a test compound to investigate the bactericidal activity of benzaldehydes against Campylobacter jejuni, Escherichia coli, Listeria monocytogenes and Salmonella enterica.
一般的な説明2,6-Dimethoxy-4-hydroxybenzaldehyde (4-hydroxy-2,6-dimethoxybenzaldehyde) is a p-hydroxybenzaldehyde derivative. Its synthesis by Vielsmeyer-Haack reaction and confirmation of the product formation by 1H NMR has been reported. Its structure has been investigated. The sodium salt of 4-hydroxy-2,6-dimethoxybenzaldehyde may be used to derivatize Merrifield resin to form resin-bound aldehyde.
上流・下流製品情報
上流原料
下流製品
関連反応
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化合物ノート
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