6-Methoxy-m-kresol

2-Methoxy-5-methylphenol

HCID 14519CAS 1195-09-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1ccc(C)cc1O
InChIKey: IFNDEOYXGHGERA-UHFFFAOYSA-N
Summenformel: C8H10O2
Durchschnittliche Molmasse: 138,16 g/mol
Monoisotopische Masse: 138,06807956

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-5-methylphenol
IUPAC: 2-methoxy-5-methylphenol
Lokaler Name: 6-Methoxy-m-kresol
Englischer Name: 2-METHOXY-5-METHYLPHENOL
Summenformel: C8H10O2
Molmasse: 138.16

Namen und Synonyme

2-Methoxy-5-methylphenolIsocreosol5-MethylguaiacolPhenol, 2-methoxy-5-methyl-6-Methoxy-m-cresol2-Hydroxy-4-methylanisolem-CRESOL, 6-METHOXY-5-methyl-2-methoxyphenol3-hydroxy-4-methoxytolueneBRN 1817644EINECS 214-791-7UNII-AV5V76OU33

Weitere Namen anzeigen

ISOCREOSOLE6-methoxy-m-creso5-METHYL-GUAIACOLTIMTEC-BB SBB008267

AV5V76OU33IFNDEOYXGHGERA-UHFFFAOYSA-DTXSID701524694-06-00-05879 (Beilstein Handbook Reference)3-HYDROXY-4-METHOXY-1-METHYLBENZENERefChem:87853DTXCID6074960IFNDEOYXGHGERA-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 1195-09-1
PubChem CID: 14519
DTXSID: DTXSID70152469
ChEBI: CHEBI:194904
UNII: AV5V76OU33
EC Number: 214-791-7
Nikkaji: J45.658F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 103

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1201.7；1177；1191；1194.4

1789

Physikochemische Eigenschaften

Schmelzpunkt: 37 °C · 37 °C
Siedepunkt: 115 °C · 115 °C
Dichte: 1.0742 g/cm3 · 1.0742 g/cm3(Temp: 38.60001953125 °C)
Brechungsindex: 1.534 · 1.534
Flammpunkt: 115 · 115-117°C/20mm
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 10.08 · 10.08±0.10(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: Slightly soluble in water.
BRN: 1817644 · 1817644
LogP: 1.74 · 1.740 (est)
CAS Datenbank: 1195 · 1195-09-1(CAS DataBase Reference)
EPA chemische Informationen: m-Creosol (1195-09-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.