5-Methoxysalicylaldehyd
2-Hydroxy-5-methoxybenzaldehyde
Grundinformationen
- CAS
672-13-9- Standard-SMILES
COc1ccc(O)c(C=O)c1- InChIKey
FZHSPPYCNDYIKD-UHFFFAOYSA-N- Summenformel
- C8H8O3
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,04734412
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxy-5-methoxybenzaldehyde
- IUPAC
- 2-hydroxy-5-methoxybenzaldehyde
- Lokaler Name
- 5-Methoxysalicylaldehyd
- Englischer Name
- 2-Hydroxy-5-methoxybenzaldehyde
- Summenformel
- C8H8O3
- Molmasse
- 152.15
Namen und Synonyme
2-Hydroxy-5-methoxybenzaldehyde672-13-95-Methoxysalicylaldehydem-Anisaldehyde, 6-hydroxy-Benzaldehyde, 2-hydroxy-5-methoxy-2-Formyl-4-methoxyphenolGYT2Q9UR3WNSC-30116CHEBI:137359DTXSID40217478RefChem:87441DTXCID40139969
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
672-13-9- PubChem CID
- 95695
- DTXSID
DTXSID40217478- ChEMBL
CHEMBL3660371
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 135
Physikochemische Eigenschaften
- Schmelzpunkt
- 4 °C · 4 °C (lit.)
- Siedepunkt
- 103 °C/2.5 · 103 °C/2.5 mmHg (lit.)
- Dichte
- 1.219 g/mL · 1.219 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.578(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid
- pka
- 8.66 · 8.66±0.18(Predicted)
- Farbe
- Clear yellow
- Wasserlöslichkeit
- Miscible with chloroform. Slightly miscible with water.
- 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 Datenbank
- 672 · 672-13-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- hs_code
- 29124900
- RTECS-Nr.
- BZ2800000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden2-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.
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