3,4-Dimethoxyphenol

HCID 16251CAS 2033-89-8

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Grundinformationen

Standard-SMILES: COc1ccc(O)cc1OC
InChIKey: SMFFZOQLHYIRDA-UHFFFAOYSA-N
Summenformel: C8H10O3
Durchschnittliche Molmasse: 154,16 g/mol
Monoisotopische Masse: 154,06299418

Überblick

3,4-dimethoxyphenol has been reported in Camellia crassicolumna and Croton lechleri with data available.

Namen und Bezeichner

Bevorzugter Name: 3,4-Dimethoxyphenol
IUPAC: 3,4-dimethoxyphenol
Lokaler Name: 3,4-Dimethoxyphenol
Englischer Name: 3,4-Dimethoxyphenol
Summenformel: C8H10O3
Molmasse: 154.16

Namen und Synonyme

3,4-DIMETHOXYPHENOLPhenol, 3,4-dimethoxy-3,4-Bis(methyloxy)phenolUNII-38B43WCU8338B43WCU83EINECS 217-995-4NSC 140927NSC-140927DTXSID7062112RefChem:91185DTXCID5036262217-995-4

Weitere Namen anzeigen

3,4-Dimethoxyphel4-HYDROXYVERATROLE3,4-dimethoxy-pheno3,4-diMethoxyphenoxyl3,4-Dimethoxyphenol >3,4-Dimethoxyphenol,97%

SMFFZOQLHYIRDA-UHFFFAOYSA-N2033-89-8MFCD000083903,4-dimethoxy-phenol3,4-Dimethoxyphenol, 97%AKOS005146109SY017636TS-02054

Datenbank-Bezeichner

CAS: 2033-89-8
PubChem CID: 16251
DTXSID: DTXSID7062112
UNII: 38B43WCU83
EC Number: 217-995-4
Nikkaji: J139.789C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-82 °C (lit.)
Siedepunkt: 167 °C/14mm · 167°C/14mm
Dichte: 1.169 · 1.1690 (rough estimate)
Brechungsindex: 1.474 · 1.4740 (estimate)
Flammpunkt: 167 °C/14mm · 167°C/14mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 10.08 · 10.08±0.18(Predicted)
Aggregatzustand: Fine Crystalline Powder
Farbe: Off-white to light beige
Wasserlöslichkeit: Soluble in water.
BRN: 1366650 · 1366650
InChI: 1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
InChIKey: SMFFZOQLHYIRDA-UHFFFAOYSA-N
SMILES: COc1ccc(O)cc1OC
LogP: 1.157 · 1.157 (est)
CAS Datenbank: 2033 · 2033-89-8(CAS DataBase Reference)
NIST chemische Informationen: 3 · Phenol, 3,4-dimethoxy-(2033-89-8)
EPA chemische Informationen: 3 · 3,4-Dimethoxyphenol (2033-89-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 45 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
wgk: 3
tsca: TSCA listed
hs_code: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhenol, 3,4-dimethoxy-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3,4-Dimethoxyphenol is used in the preparation of 5,6-dimethoxy benzofuranone derivatives and multi-target anti Alzheimer compounds. It is also used in the preparation of 3,4-dimethoxyphenyl-beta-D-glucopyranoside and 4-(but-2-enyloxy)-1,2-dimethoxybenzene. Further, it serves as a precursor for 4H-chromenes synthesis.