Grundinformationen
- CAS
33524-31-1- Standard-SMILES
COc1ccc(OC)c(CO)c1- InChIKey
WGQMUABRZGUAOS-UHFFFAOYSA-N- Summenformel
- C9H12O3
- Durchschnittliche Molmasse
- 168,19 g/mol
- Monoisotopische Masse
- 168,07864424
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dimethoxybenzyl alcohol
- IUPAC
- (2,5-dimethoxyphenyl)methanol
- Lokaler Name
- 2,5-Dimethoxybenzylalkohol
- Englischer Name
- 2,5-DIMETHOXYBENZYL ALCOHOL
- Summenformel
- C9H12O3
- Molmasse
- 168.19
Namen und Synonyme
2,5-Dimethoxybenzyl alcohol33524-31-1EINECS 251-562-0DTXSID80187166RefChem:444468DTXCID90109657251-562-0(2,5-Dimethoxyphenyl)methanolMFCD00004615Benzenemethanol, 2,5-dimethoxy-SCHEMBL487944AKOS000121223
Weitere Namen anzeigen
AURORA KA-7072RARECHEM AL BD 05332,5-Dimethoxybenzenemethanol2,5-DIMETHOXYBENZYL ALCOHOL 99%2,5-Dimethoxybenzyl alcohol,99%2,5-DiMethoxybenzyl alcohol, 99% 25ML2,5-Dimethoxy-1-(hydroxymethyl)benzene
BS-42237SY283768EN300-21707Z104509944(2,5-Dimethoxyphenyl)methanol; 1-(Hydroxymethyl)-2,5-dimethoxybenzene; 2,5-Dimethoxybenzenemethanol;2,5-dimethoxylbenzylalcoholSCHEMBL487942SCHEMBL6631188
Datenbank-Bezeichner
- CAS
33524-31-1- PubChem CID
- 118495
- DTXSID
DTXSID80187166- ChEMBL
CHEMBL3415519- EC Number
- 251-562-0
- Nikkaji
- J149.882G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 38,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 127
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionColorless viscous liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 45 · 45-48 °C
- Siedepunkt
- 122 · 122-125 °C1 mm Hg(lit.)
- Dichte
- 1.173 g/mL · 1.173 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.547(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Viscous Liquid
- pka
- 14.16 · 14.16±0.10(Predicted)
- Farbe
- Clear colorless to light yellow
- BRN
- 1947607 · 1947607
- InChI
- 1S/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3
- InChIKey
- WGQMUABRZGUAOS-UHFFFAOYSA-N
- SMILES
- COc1ccc(OC)c(CO)c1
- LogP
- 1.019 · 1.019 (est)
- CAS Datenbank
- 33524 · 33524-31-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 2,6-Dimethoxyphenol and Hydroquinone dimethyl ether.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29094980
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-36/37-26
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden2,5-Dimethoxybenzyl Alcohol can be used as a self-indicating standard for the determination of organolithium reagents
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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